N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H23N3O — CID 20887974

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H23N3O/c20-16(17-11-10-12-6-2-1-3-7-12)15-13-8-4-5-9-14(13)18-19-15/h6H,1-5,7-11H2,(H,17,20)(H,18,19)
InChIKeyHWIBOXRPMKTHRY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 20887974) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID20887974
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H23N3O/c20-16(17-11-10-12-6-2-1-3-7-12)15-13-8-4-5-9-14(13)18-19-15/h6H,1-5,7-11H2,(H,17,20)(H,18,19)
InChIKeyHWIBOXRPMKTHRY-UHFFFAOYSA-N
XLogP2.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-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 N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 20887974) is N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCCC1=CCCCC1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is HWIBOXRPMKTHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(17-11-10-12-6-2-1-3-7-12)15-13-8-4-5-9-14(13)18-19-15/h6H,1-5,7-11H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 20887974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).