4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid

C8H8ClF3N2O2 — CID 19620055

IUPAC4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2O2/c9-5-4-14(3-1-2-6(15)16)13-7(5)8(10,11)12/h4H,1-3H2,(H,15,16)
InChIKeyMPSHZZFHHHIIDN-UHFFFAOYSA-N
MW256.61 g/mol
LogP2.42
Rot. Bonds4

About 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid

4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid (PubChem CID 19620055) has the molecular formula C8H8ClF3N2O2 and a molecular weight of 256.61 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
PubChem CID19620055
Molecular FormulaC8H8ClF3N2O2
Molecular Weight256.61 g/mol
Exact Mass256.02
IUPAC Name4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2O2/c9-5-4-14(3-1-2-6(15)16)13-7(5)8(10,11)12/h4H,1-3H2,(H,15,16)
InChIKeyMPSHZZFHHHIIDN-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.61
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-chloro-3-(trifluoromethyl)pyrazol-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

2-(4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 19576709
4-Chloro-3-methyl-1H-pyrazole-1-propanoic acid
CID 7018410
4-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CID 86208018
4-[3-(Trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 19620054
2-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 118104929
1-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 118104962
(1-(4-Methoxy-4-oxobutyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)boronic acid
CID 153594915
4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid
CID 7018414
Methyl 3-(4-chloro-3-methylpyrazol-1-yl)propionate
CID 64452773
2-[4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CID 19576681
4-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 19620056
2-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19620189

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid (CID 19620055) is 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid is O=C(O)CCCn1cc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The InChIKey is MPSHZZFHHHIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2/c9-5-4-14(3-1-2-6(15)16)13-7(5)8(10,11)12/h4H,1-3H2,(H,15,16).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid has a molecular weight of 256.61 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 19620055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).