1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid

C14H13F3N4O3 — CID 167853535

IUPAC1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid
SMILESC[C@H](NC(=O)c1c(C(=O)O)cnn1C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H13F3N4O3/c1-7(8-3-4-10(18-5-8)14(15,16)17)20-12(22)11-9(13(23)24)6-19-21(11)2/h3-7H,1-2H3,(H,20,22)(H,23,24)/t7-/m0/s1
InChIKeyLHTICZQFANJKCN-ZETCQYMHSA-N
MW342.28 g/mol
LogP2.02
Rot. Bonds4

About 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid

1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid (PubChem CID 167853535) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid
PubChem CID167853535
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid
SMILESC[C@H](NC(=O)c1c(C(=O)O)cnn1C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H13F3N4O3/c1-7(8-3-4-10(18-5-8)14(15,16)17)20-12(22)11-9(13(23)24)6-19-21(11)2/h3-7H,1-2H3,(H,20,22)(H,23,24)/t7-/m0/s1
InChIKeyLHTICZQFANJKCN-ZETCQYMHSA-N
XLogP2.02
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic 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

1-methyl-5-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 29095617
1-methyl-5-[[(1S)-1-(4-pyrrol-1-ylphenyl)ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 29096037
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
2-oxo-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1H-pyridine-4-carboxamide
CID 155955914
5-[[(1R)-1-(2,4-dimethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853873
1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide
CID 155961645
1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
CID 46917889
N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167794775
1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
CID 44823900
N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167919378
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid (CID 167853535) is 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid is C[C@H](NC(=O)c1c(C(=O)O)cnn1C)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is LHTICZQFANJKCN-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c1-7(8-3-4-10(18-5-8)14(15,16)17)20-12(22)11-9(13(23)24)6-19-21(11)2/h3-7H,1-2H3,(H,20,22)(H,23,24)/t7-/m0/s1.
What are the key properties of 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 342.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 167853535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).