Name: Name:1-(butan-2-yl)-5-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BD4L
Rating: 90 (10 reviews)

1-(butan-2-yl)-5-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1247912-43-1

Catalog Number:

AG01BD4L

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

Catalog Number:

AG01BD4L

Chemical Name:

1-(butan-2-yl)-5-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1247912-43-1

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

MDL Number:

MFCD14609721

IUPAC Name:

1-butan-2-yl-5-methylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C9H14N2O2/c1-4-6(2)11-7(3)8(5-10-11)9(12)13/h5-6H,4H2,1-3H3,(H,12,13)

InChI Key:

RUCMWVNTAUNBCU-UHFFFAOYSA-N

SMILES:

Cc1c(cnn1C(CC)C)C(=O)O

Complexity:

196

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.223g/mol

Monoisotopic Mass:

182.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4