Name: Name:5-pentyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01B5KT
Rating: 90 (10 reviews)

5-pentyl-1H-pyrazole-3-carboxylic acid

CAS No.:

89967-38-4

Catalog Number:

AG01B5KT

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01B5KT

Chemical Name:

5-pentyl-1H-pyrazole-3-carboxylic acid

CAS Number:

89967-38-4

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

MDL Number:

MFCD22195314

IUPAC Name:

5-pentyl-1H-pyrazole-3-carboxylic acid

InChI:

InChI=1S/C9H14N2O2/c1-2-3-4-5-7-6-8(9(12)13)11-10-7/h6H,2-5H2,1H3,(H,10,11)(H,12,13)

InChI Key:

ZHDMNUKZNCXRJD-UHFFFAOYSA-N

SMILES:

CCCCCc1cc(n[nH]1)C(=O)O

Properties

Complexity:

173

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.223g/mol

Monoisotopic Mass:

182.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Nicotinic acid receptor agonists.	Journal of medicinal chemistry 20081225
Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a.	Bioorganic & medicinal chemistry letters 20071015
Agonist lead identification for the high affinity niacin receptor GPR109a.	Bioorganic & medicinal chemistry letters 20070901