1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

C14H19F3N4O — CID 19267771

IUPAC1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cc(C(F)(F)F)n(C)n1)C2
InChIInChI=1S/C14H19F3N4O/c1-20-9-3-4-10(20)6-8(5-9)18-13(22)11-7-12(14(15,16)17)21(2)19-11/h7-10H,3-6H2,1-2H3,(H,18,22)
InChIKeyJKRFDSGMPDXAOM-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.79
Rot. Bonds2

About 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267771) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267771
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cc(C(F)(F)F)n(C)n1)C2
InChIInChI=1S/C14H19F3N4O/c1-20-9-3-4-10(20)6-8(5-9)18-13(22)11-7-12(14(15,16)17)21(2)19-11/h7-10H,3-6H2,1-2H3,(H,18,22)
InChIKeyJKRFDSGMPDXAOM-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
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
N-[[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126736699
3-tert-butyl-N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 126736769
2-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 72210834
N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 4771573
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
CID 51083917

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267771) is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1cc(C(F)(F)F)n(C)n1)C2.
What is the InChIKey of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is JKRFDSGMPDXAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-20-9-3-4-10(20)6-8(5-9)18-13(22)11-7-12(14(15,16)17)21(2)19-11/h7-10H,3-6H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).