2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

C14H11ClF3N3O3 — CID 19504039

IUPAC2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H11ClF3N3O3/c1-7(13(23)24)21-5-4-11(20-21)12(22)19-8-2-3-10(15)9(6-8)14(16,17)18/h2-7H,1H3,(H,19,22)(H,23,24)
InChIKeyUZUPBYJTURWTBC-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.45
Rot. Bonds4

About 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504039) has the molecular formula C14H11ClF3N3O3 and a molecular weight of 361.71 g/mol. Its IUPAC name is 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504039
Molecular FormulaC14H11ClF3N3O3
Molecular Weight361.71 g/mol
Exact Mass361.04
IUPAC Name2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H11ClF3N3O3/c1-7(13(23)24)21-5-4-11(20-21)12(22)19-8-2-3-10(15)9(6-8)14(16,17)18/h2-7H,1H3,(H,19,22)(H,23,24)
InChIKeyUZUPBYJTURWTBC-UHFFFAOYSA-N
XLogP3.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504136
1-[(2S)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097720
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
2-[3-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504401
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9270355
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504039) is 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is UZUPBYJTURWTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O3/c1-7(13(23)24)21-5-4-11(20-21)12(22)19-8-2-3-10(15)9(6-8)14(16,17)18/h2-7H,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 361.71 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).