3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C26H30N4O3S — CID 86292751

IUPAC3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2C3CN(S(=O)(=O)c4ccccc4)CC32)nn1-c1ccccc1
InChIInChI=1S/C26H30N4O3S/c1-18(2)13-21-14-19(28-30(21)20-9-5-3-6-10-20)15-27-26(31)25-23-16-29(17-24(23)25)34(32,33)22-11-7-4-8-12-22/h3-12,14,18,23-25H,13,15-17H2,1-2H3,(H,27,31)
InChIKeyAWLQMQFWSWAXDJ-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.25
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86292751) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86292751
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2C3CN(S(=O)(=O)c4ccccc4)CC32)nn1-c1ccccc1
InChIInChI=1S/C26H30N4O3S/c1-18(2)13-21-14-19(28-30(21)20-9-5-3-6-10-20)15-27-26(31)25-23-16-29(17-24(23)25)34(32,33)22-11-7-4-8-12-22/h3-12,14,18,23-25H,13,15-17H2,1-2H3,(H,27,31)
InChIKeyAWLQMQFWSWAXDJ-UHFFFAOYSA-N
XLogP3.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-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-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86292751) is 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)Cc1cc(CNC(=O)C2C3CN(S(=O)(=O)c4ccccc4)CC32)nn1-c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is AWLQMQFWSWAXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-18(2)13-21-14-19(28-30(21)20-9-5-3-6-10-20)15-27-26(31)25-23-16-29(17-24(23)25)34(32,33)22-11-7-4-8-12-22/h3-12,14,18,23-25H,13,15-17H2,1-2H3,(H,27,31).
What are the key properties of 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86292751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).