Name: Name:5-ethyl-1-(pentan-3-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BD4O
Rating: 90 (10 reviews)

5-ethyl-1-(pentan-3-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1249165-87-4

Catalog Number:

AG01BD4O

Molecular Formula:

C11H18N2O2

Molecular Weight:

210.2728

Catalog Number:

AG01BD4O

Chemical Name:

5-ethyl-1-(pentan-3-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1249165-87-4

Molecular Formula:

C11H18N2O2

Molecular Weight:

210.2728

MDL Number:

MFCD14609807

IUPAC Name:

5-ethyl-1-pentan-3-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C11H18N2O2/c1-4-8(5-2)13-10(6-3)9(7-12-13)11(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)

InChI Key:

CMFZSHSSGGFBDL-UHFFFAOYSA-N

SMILES:

CCc1n(ncc1C(=O)O)C(CC)CC

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.277g/mol

Monoisotopic Mass:

210.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3