4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide

C12H18F2N4O — CID 72849115

IUPAC4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N4O/c1-8-10(9(2)17(3)16-8)15-11(19)18-6-4-12(13,14)5-7-18/h4-7H2,1-3H3,(H,15,19)
InChIKeyNMVYKIZRNYCCAG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.30
Rot. Bonds1

About 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide

4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 72849115) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID72849115
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N4O/c1-8-10(9(2)17(3)16-8)15-11(19)18-6-4-12(13,14)5-7-18/h4-7H2,1-3H3,(H,15,19)
InChIKeyNMVYKIZRNYCCAG-UHFFFAOYSA-N
XLogP2.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide (CID 72849115) is 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide is Cc1nn(C)c(C)c1NC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is NMVYKIZRNYCCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-8-10(9(2)17(3)16-8)15-11(19)18-6-4-12(13,14)5-7-18/h4-7H2,1-3H3,(H,15,19).
What are the key properties of 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide?
4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 72849115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).