1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide

C26H25FN4O3S — CID 55779605

IUPAC1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccc2ccccc12)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C26H25FN4O3S/c27-22-10-12-23(13-11-22)35(33,34)30-16-4-8-21(17-30)26(32)29-25-14-15-28-31(25)18-20-7-3-6-19-5-1-2-9-24(19)20/h1-3,5-7,9-15,21H,4,8,16-18H2,(H,29,32)
InChIKeyAOLYINSYJOBREC-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.26
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 55779605) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide
PubChem CID55779605
Molecular FormulaC26H25FN4O3S
Molecular Weight492.58 g/mol
Exact Mass492.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccc2ccccc12)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C26H25FN4O3S/c27-22-10-12-23(13-11-22)35(33,34)30-16-4-8-21(17-30)26(32)29-25-14-15-28-31(25)18-20-7-3-6-19-5-1-2-9-24(19)20/h1-3,5-7,9-15,21H,4,8,16-18H2,(H,29,32)
InChIKeyAOLYINSYJOBREC-UHFFFAOYSA-N
XLogP4.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-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 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide (CID 55779605) is 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide is O=C(Nc1ccnn1Cc1cccc2ccccc12)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is AOLYINSYJOBREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c27-22-10-12-23(13-11-22)35(33,34)30-16-4-8-21(17-30)26(32)29-25-14-15-28-31(25)18-20-7-3-6-19-5-1-2-9-24(19)20/h1-3,5-7,9-15,21H,4,8,16-18H2,(H,29,32).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 55779605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).