N-(2-phenylbutyl)-1H-indazole-3-carboxamide

C18H19N3O — CID 42888594

IUPACN-(2-phenylbutyl)-1H-indazole-3-carboxamide
SMILESCCC(CNC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-13(14-8-4-3-5-9-14)12-19-18(22)17-15-10-6-7-11-16(15)20-21-17/h3-11,13H,2,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyLUFQVYUPSUZXRR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.49
Rot. Bonds5

About N-(2-phenylbutyl)-1H-indazole-3-carboxamide

N-(2-phenylbutyl)-1H-indazole-3-carboxamide (PubChem CID 42888594) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-phenylbutyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylbutyl)-1H-indazole-3-carboxamide
PubChem CID42888594
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(2-phenylbutyl)-1H-indazole-3-carboxamide
SMILESCCC(CNC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-13(14-8-4-3-5-9-14)12-19-18(22)17-15-10-6-7-11-16(15)20-21-17/h3-11,13H,2,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyLUFQVYUPSUZXRR-UHFFFAOYSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-phenylbutyl)-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

Related Compounds

4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
CID 113322050
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 52798650
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449941

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbutyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-phenylbutyl)-1H-indazole-3-carboxamide (CID 42888594) is N-(2-phenylbutyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-phenylbutyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-phenylbutyl)-1H-indazole-3-carboxamide is CCC(CNC(=O)c1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-phenylbutyl)-1H-indazole-3-carboxamide?
The InChIKey is LUFQVYUPSUZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-13(14-8-4-3-5-9-14)12-19-18(22)17-15-10-6-7-11-16(15)20-21-17/h3-11,13H,2,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-phenylbutyl)-1H-indazole-3-carboxamide?
N-(2-phenylbutyl)-1H-indazole-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbutyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 42888594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).