3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid

C14H15ClN2O2 — CID 16796125

IUPAC3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CCC(=O)O
InChIInChI=1S/C14H15ClN2O2/c1-9-13(7-8-14(18)19)10(2)17(16-9)12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyFZFKIHAGUQGIKI-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.16
Rot. Bonds4

About 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid

3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid (PubChem CID 16796125) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
PubChem CID16796125
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CCC(=O)O
InChIInChI=1S/C14H15ClN2O2/c1-9-13(7-8-14(18)19)10(2)17(16-9)12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyFZFKIHAGUQGIKI-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic 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

3-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 86344671
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
3-[3,5-dimethyl-1-(4-phenylphenyl)pyrazol-4-yl]propanoic acid
CID 97036198
3-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 43542554
3-[1-[4-(ethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 119181040
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
4-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 119203821
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
3-[3,5-dimethyl-1-[4-[[(1R,2R)-2-methylcyclopropyl]carbamoyl]phenyl]pyrazol-4-yl]propanoic acid
CID 124690843
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]azetidine-3-carboxylic acid
CID 122046745
3-[3,5-dimethyl-1-[4-(2-methylbutylcarbamoyl)phenyl]pyrazol-4-yl]propanoic acid
CID 122109490

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid (CID 16796125) is 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid?
The InChIKey is FZFKIHAGUQGIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-13(7-8-14(18)19)10(2)17(16-9)12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid?
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid has a molecular weight of 278.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid is sourced from PubChem (CID 16796125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).