Name: Name:5-(1-phenylethyl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01BV4P
Rating: 90 (10 reviews)

5-(1-phenylethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:

906318-58-9

Catalog Number:

AG01BV4P

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

Catalog Number:

AG01BV4P

Chemical Name:

5-(1-phenylethyl)-1H-pyrazole-3-carboxylic acid

CAS Number:

906318-58-9

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

MDL Number:

MFCD24498966

IUPAC Name:

5-(1-phenylethyl)-1H-pyrazole-3-carboxylic acid

InChI:

InChI=1S/C12H12N2O2/c1-8(9-5-3-2-4-6-9)10-7-11(12(15)16)14-13-10/h2-8H,1H3,(H,13,14)(H,15,16)

InChI Key:

ZFQFUEWIACTWNQ-UHFFFAOYSA-N

SMILES:

CC(c1[nH]nc(c1)C(=O)O)c1ccccc1

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.24g/mol

Monoisotopic Mass:

216.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4