2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide

C13H18F2N4O — CID 4775899

IUPAC2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1ccnn1C(F)F)C2
InChIInChI=1S/C13H18F2N4O/c1-18-9-2-3-10(18)7-8(6-9)17-12(20)11-4-5-16-19(11)13(14)15/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,17,20)
InChIKeyWNHNVMVYDZWGRO-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.63
Rot. Bonds3

About 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide

2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide (PubChem CID 4775899) has the molecular formula C13H18F2N4O and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide
PubChem CID4775899
Molecular FormulaC13H18F2N4O
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1ccnn1C(F)F)C2
InChIInChI=1S/C13H18F2N4O/c1-18-9-2-3-10(18)7-8(6-9)17-12(20)11-4-5-16-19(11)13(14)15/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,17,20)
InChIKeyWNHNVMVYDZWGRO-UHFFFAOYSA-N
XLogP1.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide (CID 4775899) is 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1ccnn1C(F)F)C2.
What is the InChIKey of 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide?
The InChIKey is WNHNVMVYDZWGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O/c1-18-9-2-3-10(18)7-8(6-9)17-12(20)11-4-5-16-19(11)13(14)15/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,17,20).
What are the key properties of 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide?
2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4775899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).