Name: Name:3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG00IH9M
Rating: 90 (10 reviews)

3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxylic acid

CAS No.:

926240-70-2

Catalog Number:

AG00IH9M

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

Catalog Number:

AG00IH9M

Chemical Name:

3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxylic acid

CAS Number:

926240-70-2

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

MDL Number:

MFCD06660493

IUPAC Name:

3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid

InChI:

InChI=1S/C14H16N2O2/c1-9-4-6-12(7-5-9)8-16-11(3)13(14(17)18)10(2)15-16/h4-7H,8H2,1-3H3,(H,17,18)

InChI Key:

QHVTWKGAGKEAJV-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)Cn1nc(c(c1C)C(=O)O)C

Complexity:

300

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:

2.5