N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H19N3O — CID 20887970

IUPACN-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C16H19N3O/c1-11-6-8-12(9-7-11)10-17-16(20)15-13-4-2-3-5-14(13)18-19-15/h6-9H,2-5,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyXYYKBMUZRNQWLL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.53
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 20887970) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID20887970
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C16H19N3O/c1-11-6-8-12(9-7-11)10-17-16(20)15-13-4-2-3-5-14(13)18-19-15/h6-9H,2-5,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyXYYKBMUZRNQWLL-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 20887970) is N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is XYYKBMUZRNQWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-6-8-12(9-7-11)10-17-16(20)15-13-4-2-3-5-14(13)18-19-15/h6-9H,2-5,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 20887970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).