Name: Name:1-(2-methylphenyl)-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BDBX
Rating: 90 (10 reviews)

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

CAS No.:

1002290-97-2

Catalog Number:

AG01BDBX

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

Catalog Number:

AG01BDBX

Chemical Name:

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

CAS Number:

1002290-97-2

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

MDL Number:

MFCD10452162

IUPAC Name:

1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid

InChI:

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

InChI Key:

PWPRDDCBAKOHGN-UHFFFAOYSA-N

SMILES:

CC(c1c(cnn1c1ccccc1C)C(=O)O)C

Complexity:

306

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:

2.9