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

C12H17F3N4O — CID 4769718

IUPAC1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2cc(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)16-11(20)9-7-10(12(13,14)15)17-19(9)2/h7-8H,3-6H2,1-2H3,(H,16,20)
InChIKeyXWAUDTFETQWLNI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.26
Rot. Bonds2

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

1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4769718) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4769718
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2cc(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)16-11(20)9-7-10(12(13,14)15)17-19(9)2/h7-8H,3-6H2,1-2H3,(H,16,20)
InChIKeyXWAUDTFETQWLNI-UHFFFAOYSA-N
XLogP1.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1236015
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N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
Pyrazole-3,5-dicarboxamide, N,N,N',N',1-pentamethyl-
CID 3035271
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16191009
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46944163
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49795728
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
2-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 72210834
2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
CID 162540442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4769718) is 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CN1CCC(NC(=O)c2cc(C(F)(F)F)nn2C)CC1.
What is the InChIKey of 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is XWAUDTFETQWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)16-11(20)9-7-10(12(13,14)15)17-19(9)2/h7-8H,3-6H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4769718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).