3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

C15H17F2N5O — CID 139666841

IUPAC3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(N)=O)C(F)(F)C2)c1
InChIInChI=1S/C15H17F2N5O/c1-10-6-20-22(8-10)12-2-4-19-7-13(12)21-5-3-11(14(18)23)15(16,17)9-21/h2,4,6-8,11H,3,5,9H2,1H3,(H2,18,23)
InChIKeyCLPNYDPOLRHGPB-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.52
Rot. Bonds3

About 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 139666841) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID139666841
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC Name3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(N)=O)C(F)(F)C2)c1
InChIInChI=1S/C15H17F2N5O/c1-10-6-20-22(8-10)12-2-4-19-7-13(12)21-5-3-11(14(18)23)15(16,17)9-21/h2,4,6-8,11H,3,5,9H2,1H3,(H2,18,23)
InChIKeyCLPNYDPOLRHGPB-UHFFFAOYSA-N
XLogP1.52
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-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 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (CID 139666841) is 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is Cc1cnn(-c2ccncc2N2CCC(C(N)=O)C(F)(F)C2)c1.
What is the InChIKey of 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is CLPNYDPOLRHGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c1-10-6-20-22(8-10)12-2-4-19-7-13(12)21-5-3-11(14(18)23)15(16,17)9-21/h2,4,6-8,11H,3,5,9H2,1H3,(H2,18,23).
What are the key properties of 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 139666841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).