Name: Name:1-(2-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG019XWX
Rating: 90 (10 reviews)

1-(2-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

CAS No.:

1099683-09-6

Catalog Number:

AG019XWX

Molecular Formula:

C14H14N2O2

Molecular Weight:

242.2732

Catalog Number:

AG019XWX

Chemical Name:

1-(2-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

CAS Number:

1099683-09-6

Molecular Formula:

C14H14N2O2

Molecular Weight:

242.2732

MDL Number:

MFCD11551024

IUPAC Name:

1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C14H14N2O2/c1-9-5-2-3-7-11(9)16-12-8-4-6-10(12)13(15-16)14(17)18/h2-3,5,7H,4,6,8H2,1H3,(H,17,18)

InChI Key:

BSUHAOPZKGYUIR-UHFFFAOYSA-N

SMILES:

Cc1ccccc1n1nc(c2c1CCC2)C(=O)O

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.278g/mol

Monoisotopic Mass:

242.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8