4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H22ClF3N4O — CID 4771106

IUPAC4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H22ClF3N4O/c1-13(2)6-8(7-14(3,4)22-13)20-12(24)10-9(16)11(15(17,18)19)21-23(10)5/h8,22H,6-7H2,1-5H3,(H,20,24)
InChIKeyWVBXOFCMJULTKG-UHFFFAOYSA-N
MW366.82 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4771106) has the molecular formula C15H22ClF3N4O and a molecular weight of 366.82 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4771106
Molecular FormulaC15H22ClF3N4O
Molecular Weight366.82 g/mol
Exact Mass366.14
IUPAC Name4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H22ClF3N4O/c1-13(2)6-8(7-14(3,4)22-13)20-12(24)10-9(16)11(15(17,18)19)21-23(10)5/h8,22H,6-7H2,1-5H3,(H,20,24)
InChIKeyWVBXOFCMJULTKG-UHFFFAOYSA-N
XLogP3.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 70739636
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
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-cyclooctyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769852
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4771106) is 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is WVBXOFCMJULTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N4O/c1-13(2)6-8(7-14(3,4)22-13)20-12(24)10-9(16)11(15(17,18)19)21-23(10)5/h8,22H,6-7H2,1-5H3,(H,20,24).
What are the key properties of 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 366.82 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4771106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).