(2R)-2-(4-chloropyrazol-1-yl)butanoic acid

C7H9ClN2O2 — CID 7017286

IUPAC(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
SMILESCC[C@H](C(=O)O)n1cc(Cl)cn1
InChIInChI=1S/C7H9ClN2O2/c1-2-6(7(11)12)10-4-5(8)3-9-10/h3-4,6H,2H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyNQGXFNDVJVYKNU-ZCFIWIBFSA-N
MW188.61 g/mol
LogP1.57
Rot. Bonds3

About (2R)-2-(4-chloropyrazol-1-yl)butanoic acid

(2R)-2-(4-chloropyrazol-1-yl)butanoic acid (PubChem CID 7017286) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is (2R)-2-(4-chloropyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
PubChem CID7017286
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
SMILESCC[C@H](C(=O)O)n1cc(Cl)cn1
InChIInChI=1S/C7H9ClN2O2/c1-2-6(7(11)12)10-4-5(8)3-9-10/h3-4,6H,2H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyNQGXFNDVJVYKNU-ZCFIWIBFSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-chloropyrazol-1-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chloropyrazol-1-yl)butanoate
CID 7017285
2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid
CID 102547341
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
(2R)-2-(4-nitropyrazol-1-yl)butanoic acid
CID 7017284
2-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]butanamide
CID 19536837
2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide
CID 19549369
2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide
CID 19549343
2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 19584230
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 19536831
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
CID 19584578
3-(4-chloropyrazol-1-yl)butan-2-one
CID 61036179
N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19549344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloropyrazol-1-yl)butanoic acid?
The IUPAC name of (2R)-2-(4-chloropyrazol-1-yl)butanoic acid (CID 7017286) is (2R)-2-(4-chloropyrazol-1-yl)butanoic acid.
What is the SMILES notation for (2R)-2-(4-chloropyrazol-1-yl)butanoic acid?
The canonical SMILES for (2R)-2-(4-chloropyrazol-1-yl)butanoic acid is CC[C@H](C(=O)O)n1cc(Cl)cn1.
What is the InChIKey of (2R)-2-(4-chloropyrazol-1-yl)butanoic acid?
The InChIKey is NQGXFNDVJVYKNU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-2-6(7(11)12)10-4-5(8)3-9-10/h3-4,6H,2H2,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-(4-chloropyrazol-1-yl)butanoic acid?
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid has a molecular weight of 188.61 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloropyrazol-1-yl)butanoic acid is sourced from PubChem (CID 7017286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).