N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide

C20H23N3O — CID 52768115

IUPACN-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C20H23N3O/c1-14(13-20(2,3)15-9-5-4-6-10-15)21-19(24)18-16-11-7-8-12-17(16)22-23-18/h4-12,14H,13H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyGLSCTOKZKXOWBM-AWEZNQCLSA-N
MW321.42 g/mol
LogP4.05
Rot. Bonds5

About N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide

N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 52768115) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
PubChem CID52768115
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C20H23N3O/c1-14(13-20(2,3)15-9-5-4-6-10-15)21-19(24)18-16-11-7-8-12-17(16)22-23-18/h4-12,14H,13H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyGLSCTOKZKXOWBM-AWEZNQCLSA-N
XLogP4.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18161172
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N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
CID 52734946
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide (CID 52768115) is N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide is C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is GLSCTOKZKXOWBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14(13-20(2,3)15-9-5-4-6-10-15)21-19(24)18-16-11-7-8-12-17(16)22-23-18/h4-12,14H,13H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide?
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 52768115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).