Name: Name:1-phenyl-3-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG00IJ8T
Rating: 90 (10 reviews)

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

CAS No.:

956181-55-8

Catalog Number:

AG00IJ8T

Molecular Formula:

C19H18N2O2

Molecular Weight:

306.3584

Catalog Number:

AG00IJ8T

Chemical Name:

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

CAS Number:

956181-55-8

Molecular Formula:

C19H18N2O2

Molecular Weight:

306.3584

MDL Number:

MFCD06357370

IUPAC Name:

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

InChI:

InChI=1S/C19H18N2O2/c1-13(2)14-8-10-15(11-9-14)18-17(19(22)23)12-21(20-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23)

InChI Key:

OEAMTQVYPYFSGQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(nc1c1ccc(cc1)C(C)C)c1ccccc1

Complexity:

398

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.365g/mol

Monoisotopic Mass:

306.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2