N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H25N3O — CID 25161464

IUPACN-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c2c1CC(c1ccccc1)CC2
InChIInChI=1S/C20H25N3O/c24-20(21-16-9-5-2-6-10-16)19-17-13-15(11-12-18(17)22-23-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,21,24)(H,22,23)
InChIKeySSKHPVNGTNMXFG-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.74
Rot. Bonds3

About N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 25161464) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID25161464
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c2c1CC(c1ccccc1)CC2
InChIInChI=1S/C20H25N3O/c24-20(21-16-9-5-2-6-10-16)19-17-13-15(11-12-18(17)22-23-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,21,24)(H,22,23)
InChIKeySSKHPVNGTNMXFG-UHFFFAOYSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 25161464) is N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NC1CCCCC1)c1n[nH]c2c1CC(c1ccccc1)CC2.
What is the InChIKey of N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is SSKHPVNGTNMXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(21-16-9-5-2-6-10-16)19-17-13-15(11-12-18(17)22-23-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,21,24)(H,22,23).
What are the key properties of N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 25161464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).