N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide

C17H17N3O — CID 63010618

IUPACN-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-12(9-13-5-3-2-4-6-13)19-17(21)14-7-8-15-11-18-20-16(15)10-14/h2-8,10-12H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyLDAIZBCALDOQGT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.92
Rot. Bonds4

About N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide

N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide (PubChem CID 63010618) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
PubChem CID63010618
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-12(9-13-5-3-2-4-6-13)19-17(21)14-7-8-15-11-18-20-16(15)10-14/h2-8,10-12H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyLDAIZBCALDOQGT-UHFFFAOYSA-N
XLogP2.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
CID 65193937
N-(1-amino-4-methylpentan-2-yl)-1H-indazole-6-carboxamide
CID 63888929
N-[1-(2-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715178
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide (CID 63010618) is N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide is CC(Cc1ccccc1)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide?
The InChIKey is LDAIZBCALDOQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(9-13-5-3-2-4-6-13)19-17(21)14-7-8-15-11-18-20-16(15)10-14/h2-8,10-12H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide?
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 63010618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).