4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid

C17H19ClF3N3O2 — CID 146285779

IUPAC4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid
SMILESCCc1cc(C[C@@H](C)C(F)(F)F)ncc1-c1c(Cl)c(C(=O)O)nn1CC
InChIInChI=1S/C17H19ClF3N3O2/c1-4-10-7-11(6-9(3)17(19,20)21)22-8-12(10)15-13(18)14(16(25)26)23-24(15)5-2/h7-9H,4-6H2,1-3H3,(H,25,26)/t9-/m1/s1
InChIKeyDZDQSOASEPLQOU-SECBINFHSA-N
MW389.81 g/mol
LogP4.62
Rot. Bonds6

About 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid

4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid (PubChem CID 146285779) has the molecular formula C17H19ClF3N3O2 and a molecular weight of 389.81 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid
PubChem CID146285779
Molecular FormulaC17H19ClF3N3O2
Molecular Weight389.81 g/mol
Exact Mass389.11
IUPAC Name4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid
SMILESCCc1cc(C[C@@H](C)C(F)(F)F)ncc1-c1c(Cl)c(C(=O)O)nn1CC
InChIInChI=1S/C17H19ClF3N3O2/c1-4-10-7-11(6-9(3)17(19,20)21)22-8-12(10)15-13(18)14(16(25)26)23-24(15)5-2/h7-9H,4-6H2,1-3H3,(H,25,26)/t9-/m1/s1
InChIKeyDZDQSOASEPLQOU-SECBINFHSA-N
XLogP4.62
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-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

4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 146285878
ethyl 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]pyrazole-3-carboxylate
CID 146285900
4-chloro-5-[4-(difluoromethyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 146285871
4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]pyrazole-3-carboxylic acid
CID 155797848
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoropropyl)-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 146285876
5-(4-chloro-1-ethyl-2H-pyridin-5-yl)-4-ethyl-2-(3,3,3-trifluoro-2-methylpropyl)pyridine
CID 175103232
4-chloro-5-[4-(difluoromethoxy)-6-[(4,4,4-trifluoro-2-methylbutan-2-yl)amino]-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 175085731
ethyl 4-chloro-5-[2-(difluoromethoxy)-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethylpyrazole-3-carboxylate
CID 146287706
carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 158092938
carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-2-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 158092939
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-yl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;nitrous acid
CID 158645104
5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 161100895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid (CID 146285779) is 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid is CCc1cc(C[C@@H](C)C(F)(F)F)ncc1-c1c(Cl)c(C(=O)O)nn1CC.
What is the InChIKey of 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid?
The InChIKey is DZDQSOASEPLQOU-SECBINFHSA-N. The full InChI is InChI=1S/C17H19ClF3N3O2/c1-4-10-7-11(6-9(3)17(19,20)21)22-8-12(10)15-13(18)14(16(25)26)23-24(15)5-2/h7-9H,4-6H2,1-3H3,(H,25,26)/t9-/m1/s1.
What are the key properties of 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid?
4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid has a molecular weight of 389.81 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 146285779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).