N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide

C16H23N3O2 — CID 111444821

IUPACN-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C16H23N3O2/c1-3-8-16(21,9-4-2)11-17-15(20)13-7-5-6-12-10-18-19-14(12)13/h5-7,10,21H,3-4,8-9,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQWYFBPNDUVUAOB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.62
Rot. Bonds7

About N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide

N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide (PubChem CID 111444821) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
PubChem CID111444821
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C16H23N3O2/c1-3-8-16(21,9-4-2)11-17-15(20)13-7-5-6-12-10-18-19-14(12)13/h5-7,10,21H,3-4,8-9,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQWYFBPNDUVUAOB-UHFFFAOYSA-N
XLogP2.62
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
CID 109380508
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
N-[2-(3-ethylanilino)-2-oxoethyl]-1H-indazole-7-carboxamide
CID 75418768
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate
CID 47150573
6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
CID 119186122
N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103712960
6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
CID 109389045
N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
CID 43052510
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide (CID 111444821) is N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide is CCCC(O)(CCC)CNC(=O)c1cccc2cn[nH]c12.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide?
The InChIKey is QWYFBPNDUVUAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-8-16(21,9-4-2)11-17-15(20)13-7-5-6-12-10-18-19-14(12)13/h5-7,10,21H,3-4,8-9,11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide?
N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide is sourced from PubChem (CID 111444821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).