N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C12H17F3N4O — CID 102805804

IUPACN-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H17F3N4O/c1-7-10(6-19(2)18-7)17-11(20)9-4-3-8(5-16-9)12(13,14)15/h6,8-9,16H,3-5H2,1-2H3,(H,17,20)
InChIKeyKFFNMGKMKKQXSR-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.60
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 102805804) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID102805804
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H17F3N4O/c1-7-10(6-19(2)18-7)17-11(20)9-4-3-8(5-16-9)12(13,14)15/h6,8-9,16H,3-5H2,1-2H3,(H,17,20)
InChIKeyKFFNMGKMKKQXSR-UHFFFAOYSA-N
XLogP1.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)cyclohex-3-enecarboxamide
CID 71808053
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
N-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
CID 71899330
N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide
CID 86802036
(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide
CID 99836569
1-amino-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 132308714
N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide
CID 164634432
(2S)-N-(1,3-dimethylpyrazol-4-yl)-1-methylazepane-2-carboxamide
CID 164640035
(2S)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxamide
CID 164642328
2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 90105005
1-[4-[3-[3-(Difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
CID 146437517
1-[4-[3-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
CID 146437548

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 102805804) is N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is Cc1nn(C)cc1NC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is KFFNMGKMKKQXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7-10(6-19(2)18-7)17-11(20)9-4-3-8(5-16-9)12(13,14)15/h6,8-9,16H,3-5H2,1-2H3,(H,17,20).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 102805804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).