Name: Name:5-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A49H
Rating: 90 (10 reviews)

5-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1007541-94-7

Catalog Number:

AG01A49H

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

Catalog Number:

AG01A49H

Chemical Name:

5-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1007541-94-7

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

MDL Number:

MFCD08700650

IUPAC Name:

5-methyl-1-propan-2-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H12N2O2/c1-5(2)10-6(3)7(4-9-10)8(11)12/h4-5H,1-3H3,(H,11,12)

InChI Key:

IIUHZXGAQHOQSG-UHFFFAOYSA-N

SMILES:

CC(n1ncc(c1C)C(=O)O)C

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.196g/mol

Monoisotopic Mass:

168.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9