4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide

C24H24N4O2 — CID 71287810

IUPAC4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C34CNC(=O)C3C4)nn2-c2ccccc2)c1
InChIInChI=1S/C24H24N4O2/c1-2-7-16-8-6-9-17(12-16)20-13-21(27-28(20)18-10-4-3-5-11-18)26-23(30)24-14-19(24)22(29)25-15-24/h3-6,8-13,19H,2,7,14-15H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyFBDBCWULQGGMTC-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.57
Rot. Bonds6

About 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide

4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 71287810) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID71287810
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C34CNC(=O)C3C4)nn2-c2ccccc2)c1
InChIInChI=1S/C24H24N4O2/c1-2-7-16-8-6-9-17(12-16)20-13-21(27-28(20)18-10-4-3-5-11-18)26-23(30)24-14-19(24)22(29)25-15-24/h3-6,8-13,19H,2,7,14-15H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyFBDBCWULQGGMTC-UHFFFAOYSA-N
XLogP3.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 71287810) is 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide is CCCc1cccc(-c2cc(NC(=O)C34CNC(=O)C3C4)nn2-c2ccccc2)c1.
What is the InChIKey of 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is FBDBCWULQGGMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-7-16-8-6-9-17(12-16)20-13-21(27-28(20)18-10-4-3-5-11-18)26-23(30)24-14-19(24)22(29)25-15-24/h3-6,8-13,19H,2,7,14-15H2,1H3,(H,25,29)(H,26,27,30).
What are the key properties of 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 71287810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).