Name: Name:5-methyl-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01BV9C
Rating: 90 (10 reviews)

5-methyl-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS No.:

1020724-11-1

Catalog Number:

AG01BV9C

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

Catalog Number:

AG01BV9C

Chemical Name:

5-methyl-1-[4-(propan-2-yl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS Number:

1020724-11-1

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

MDL Number:

MFCD08443779

IUPAC Name:

5-methyl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)16-10(3)8-13(15-16)14(17)18/h4-9H,1-3H3,(H,17,18)

InChI Key:

WNSZFURQJFLTPP-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)n1nc(cc1C)C(=O)O)C

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.294g/mol

Monoisotopic Mass:

244.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3