Name: Name:1-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG019V3U
Rating: 90 (10 reviews)

1-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid

CAS No.:

97393-57-2

Catalog Number:

AG019V3U

Molecular Formula:

C15H16N2O2

Molecular Weight:

256.2997

Catalog Number:

AG019V3U

Chemical Name:

1-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid

CAS Number:

97393-57-2

Molecular Formula:

C15H16N2O2

Molecular Weight:

256.2997

MDL Number:

MFCD09049895

IUPAC Name:

1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C15H16N2O2/c18-15(19)14-12-9-5-2-6-10-13(12)17(16-14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,19)

InChI Key:

DEUNZFGSRSSRLE-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c2c1CCCCC2)c1ccccc1

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.305g/mol

Monoisotopic Mass:

256.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5