Name: Name:3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoic acid
Brand: Angene
SKU: AG01A2KJ
Rating: 90 (10 reviews)

3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoic acid

CAS No.:

1423025-74-4

Catalog Number:

AG01A2KJ

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

Catalog Number:

AG01A2KJ

Chemical Name:

3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoic acid

CAS Number:

1423025-74-4

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

MDL Number:

MFCD22578628

IUPAC Name:

3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoic acid

InChI:

InChI=1S/C9H14N2O2/c1-5(4-8(12)13)9-6(2)10-11-7(9)3/h5H,4H2,1-3H3,(H,10,11)(H,12,13)

InChI Key:

LIQQUKTZYMHVQM-UHFFFAOYSA-N

SMILES:

OC(=O)CC(c1c(C)n[nH]c1C)C

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:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1