Name: Name:5-(propan-2-yl)-1-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01A1MO
Rating: 90 (10 reviews)

5-(propan-2-yl)-1-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid

CAS No.:

1177272-21-7

Catalog Number:

AG01A1MO

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG01A1MO

Chemical Name:

5-(propan-2-yl)-1-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid

CAS Number:

1177272-21-7

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD10002116

IUPAC Name:

5-propan-2-yl-1-pyridin-4-ylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C12H13N3O2/c1-8(2)11-7-10(12(16)17)14-15(11)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,16,17)

InChI Key:

GHBZCKFXEVHQOO-UHFFFAOYSA-N

SMILES:

CC(c1cc(nn1c1ccncc1)C(=O)O)C

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.255g/mol

Monoisotopic Mass:

231.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8