4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H20ClF3N4O2 — CID 125160167

IUPAC4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOCCN1CC[C@@H](CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1
InChIInChI=1S/C14H20ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(23)19-7-9-3-4-22(8-9)5-6-24-2/h9H,3-8H2,1-2H3,(H,19,23)/t9-/m0/s1
InChIKeyTTZJRTKJYMWZGT-VIFPVBQESA-N
MW368.79 g/mol
LogP1.79
Rot. Bonds6

About 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 125160167) has the molecular formula C14H20ClF3N4O2 and a molecular weight of 368.79 g/mol. Its IUPAC name is 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID125160167
Molecular FormulaC14H20ClF3N4O2
Molecular Weight368.79 g/mol
Exact Mass368.12
IUPAC Name4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOCCN1CC[C@@H](CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1
InChIInChI=1S/C14H20ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(23)19-7-9-3-4-22(8-9)5-6-24-2/h9H,3-8H2,1-2H3,(H,19,23)/t9-/m0/s1
InChIKeyTTZJRTKJYMWZGT-VIFPVBQESA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide 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-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 70739636
WO2021250648, Example 73
CID 162396438
4-chloro-1,5-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 4771563
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527
4-chloro-N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769853
4-chloro-N-cycloheptyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769854
(3R*,4S*)-1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-propylpyrrolidin-3-amine
CID 72866090
N-[rel-(3R,4S)-1-(2-amino-2-oxoethyl)-4-propyl-3-pyrrolidinyl]-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 72892559
4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 74249066
4-chloro-1,3-dimethyl-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]pyrazole-5-carboxamide
CID 99948136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 125160167) is 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is COCCN1CC[C@@H](CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1.
What is the InChIKey of 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is TTZJRTKJYMWZGT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(23)19-7-9-3-4-22(8-9)5-6-24-2/h9H,3-8H2,1-2H3,(H,19,23)/t9-/m0/s1.
What are the key properties of 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 368.79 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 125160167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).