2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide

C22H21FN4O2 — CID 1284329

IUPAC2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C22H21FN4O2/c23-19-12-6-5-11-17(19)21(28)25-20-18(22(29)26-13-7-2-8-14-26)15-24-27(20)16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,25,28)
InChIKeyPCNMGKZNYIKULY-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.89
Rot. Bonds4

About 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide

2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide (PubChem CID 1284329) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
PubChem CID1284329
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C22H21FN4O2/c23-19-12-6-5-11-17(19)21(28)25-20-18(22(29)26-13-7-2-8-14-26)15-24-27(20)16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,25,28)
InChIKeyPCNMGKZNYIKULY-UHFFFAOYSA-N
XLogP3.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide 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 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide (CID 1284329) is 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide is O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The InChIKey is PCNMGKZNYIKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-19-12-6-5-11-17(19)21(28)25-20-18(22(29)26-13-7-2-8-14-26)15-24-27(20)16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,25,28).
What are the key properties of 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 1284329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).