N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide

C16H23N3O2 — CID 109380508

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C16H23N3O2/c1-10(2)14(20)16(3,4)9-17-15(21)12-7-5-6-11-8-18-19-13(11)12/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyKFEQFDNXPXUFHW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide (PubChem CID 109380508) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
PubChem CID109380508
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C16H23N3O2/c1-10(2)14(20)16(3,4)9-17-15(21)12-7-5-6-11-8-18-19-13(11)12/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyKFEQFDNXPXUFHW-UHFFFAOYSA-N
XLogP2.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
CID 111444821
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate
CID 47150573
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671
N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-indazole-7-carboxamide
CID 51107530
2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
CID 119193195
N-[2-(3-ethylanilino)-2-oxoethyl]-1H-indazole-7-carboxamide
CID 75418768

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide (CID 109380508) is N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1cccc2cn[nH]c12.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide?
The InChIKey is KFEQFDNXPXUFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)14(20)16(3,4)9-17-15(21)12-7-5-6-11-8-18-19-13(11)12/h5-8,10,14,20H,9H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide is sourced from PubChem (CID 109380508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).