Name: Name:3-methyl-1-(pentan-3-yl)-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG01A4R5
Rating: 90 (10 reviews)

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

CAS No.:

1432681-38-3

Catalog Number:

AG01A4R5

Molecular Formula:

C10H16N2O2

Molecular Weight:

196.2462

Catalog Number:

AG01A4R5

Chemical Name:

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

CAS Number:

1432681-38-3

Molecular Formula:

C10H16N2O2

Molecular Weight:

196.2462

MDL Number:

MFCD23701971

IUPAC Name:

5-methyl-2-pentan-3-ylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C10H16N2O2/c1-4-8(5-2)12-9(10(13)14)6-7(3)11-12/h6,8H,4-5H2,1-3H3,(H,13,14)

InChI Key:

VDMCXBCWNUWDEW-UHFFFAOYSA-N

SMILES:

CCC(n1nc(cc1C(=O)O)C)CC

Complexity:

204

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.25g/mol

Monoisotopic Mass:

196.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2