(6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C16H19N3O — CID 95781923

IUPAC(6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCc3cn[nH]c3C2)cc1
InChIInChI=1S/C16H19N3O/c1-11-2-4-12(5-3-11)9-17-16(20)13-6-7-14-10-18-19-15(14)8-13/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyWTXJCNXGZQRDMZ-ZDUSSCGKSA-N
MW269.35 g/mol
LogP2.14
Rot. Bonds3

About (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

(6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 95781923) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID95781923
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCc3cn[nH]c3C2)cc1
InChIInChI=1S/C16H19N3O/c1-11-2-4-12(5-3-11)9-17-16(20)13-6-7-14-10-18-19-15(14)8-13/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyWTXJCNXGZQRDMZ-ZDUSSCGKSA-N
XLogP2.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-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 (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 95781923) is (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCc3cn[nH]c3C2)cc1.
What is the InChIKey of (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is WTXJCNXGZQRDMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-2-4-12(5-3-11)9-17-16(20)13-6-7-14-10-18-19-15(14)8-13/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
(6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 95781923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).