4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H16ClF3N4O — CID 4769163

IUPAC4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C12H16ClF3N4O/c1-19-5-3-7(4-6-19)17-11(21)9-8(13)10(12(14,15)16)18-20(9)2/h7H,3-6H2,1-2H3,(H,17,21)
InChIKeyTWLARARCPQBDKG-UHFFFAOYSA-N
MW324.73 g/mol
LogP1.92
Rot. Bonds2

About 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4769163) has the molecular formula C12H16ClF3N4O and a molecular weight of 324.73 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4769163
Molecular FormulaC12H16ClF3N4O
Molecular Weight324.73 g/mol
Exact Mass324.10
IUPAC Name4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C12H16ClF3N4O/c1-19-5-3-7(4-6-19)17-11(21)9-8(13)10(12(14,15)16)18-20(9)2/h7H,3-6H2,1-2H3,(H,17,21)
InChIKeyTWLARARCPQBDKG-UHFFFAOYSA-N
XLogP1.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
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
4-chloro-1,5-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 4771563
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
2-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769718
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
4-chloro-1-methyl-N-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 6469224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4769163) is 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CN1CCC(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1.
What is the InChIKey of 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is TWLARARCPQBDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4O/c1-19-5-3-7(4-6-19)17-11(21)9-8(13)10(12(14,15)16)18-20(9)2/h7H,3-6H2,1-2H3,(H,17,21).
What are the key properties of 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 324.73 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4769163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).