4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide

C14H22F2N4O — CID 72901011

IUPAC4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCC(C)CCn1nccc1NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N4O/c1-11(2)4-8-20-12(3-7-17-20)18-13(21)19-9-5-14(15,16)6-10-19/h3,7,11H,4-6,8-10H2,1-2H3,(H,18,21)
InChIKeyLNTKMMJYVCWOEJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.19
Rot. Bonds4

About 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide

4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 72901011) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID72901011
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCC(C)CCn1nccc1NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N4O/c1-11(2)4-8-20-12(3-7-17-20)18-13(21)19-9-5-14(15,16)6-10-19/h3,7,11H,4-6,8-10H2,1-2H3,(H,18,21)
InChIKeyLNTKMMJYVCWOEJ-UHFFFAOYSA-N
XLogP3.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 72901011) is 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide is CC(C)CCn1nccc1NC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is LNTKMMJYVCWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-11(2)4-8-20-12(3-7-17-20)18-13(21)19-9-5-14(15,16)6-10-19/h3,7,11H,4-6,8-10H2,1-2H3,(H,18,21).
What are the key properties of 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide?
4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 72901011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).