Name: Name:5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019WDE
Rating: 90 (10 reviews)

5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1017666-40-8

Catalog Number:

AG019WDE

Molecular Formula:

C11H13N3O2

Molecular Weight:

219.2398

Catalog Number:

AG019WDE

Chemical Name:

5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1017666-40-8

Molecular Formula:

C11H13N3O2

Molecular Weight:

219.2398

MDL Number:

MFCD09703011

IUPAC Name:

5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C11H13N3O2/c1-7-4-5-8(2)14(7)10-9(11(15)16)6-12-13(10)3/h4-6H,1-3H3,(H,15,16)

InChI Key:

KRNXOJQIIODTAI-UHFFFAOYSA-N

SMILES:

Cn1ncc(c1n1c(C)ccc1C)C(=O)O

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.244g/mol

Monoisotopic Mass:

219.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3