Name: Name:1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(1H-pyrrol-1-yl)-
Brand: Angene
SKU: AG002Y7R
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(1H-pyrrol-1-yl)-

CAS No.:

293758-83-5

Catalog Number:

AG002Y7R

Molecular Formula:

C9H9N3O2

Molecular Weight:

191.1867

Catalog Number:

AG002Y7R

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(1H-pyrrol-1-yl)-

CAS Number:

293758-83-5

Molecular Formula:

C9H9N3O2

Molecular Weight:

191.1867

MDL Number:

MFCD01871363

IUPAC Name:

1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C9H9N3O2/c1-11-8(12-4-2-3-5-12)7(6-10-11)9(13)14/h2-6H,1H3,(H,13,14)

InChI Key:

HVOLMMKQGYDNND-UHFFFAOYSA-N

SMILES:

Cn1ncc(c1n1cccc1)C(=O)O

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.19g/mol

Monoisotopic Mass:

191.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5