4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide

C12H18F2N4O — CID 132586551

IUPAC4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
SMILESNc1cn(CC(F)F)nc1C(=O)NC1CCCCC1
InChIInChI=1S/C12H18F2N4O/c13-10(14)7-18-6-9(15)11(17-18)12(19)16-8-4-2-1-3-5-8/h6,8,10H,1-5,7,15H2,(H,16,19)
InChIKeyFZNBXLPUHWYNTA-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.79
Rot. Bonds4

About 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide

4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide (PubChem CID 132586551) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
PubChem CID132586551
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
SMILESNc1cn(CC(F)F)nc1C(=O)NC1CCCCC1
InChIInChI=1S/C12H18F2N4O/c13-10(14)7-18-6-9(15)11(17-18)12(19)16-8-4-2-1-3-5-8/h6,8,10H,1-5,7,15H2,(H,16,19)
InChIKeyFZNBXLPUHWYNTA-UHFFFAOYSA-N
XLogP1.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide (CID 132586551) is 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide is Nc1cn(CC(F)F)nc1C(=O)NC1CCCCC1.
What is the InChIKey of 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The InChIKey is FZNBXLPUHWYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c13-10(14)7-18-6-9(15)11(17-18)12(19)16-8-4-2-1-3-5-8/h6,8,10H,1-5,7,15H2,(H,16,19).
What are the key properties of 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide?
4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 132586551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).