N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide

C15H21N3O2 — CID 103719083

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)7-12(19)9-16-14(20)10-4-5-13-11(6-10)8-17-18-13/h4-6,8,12,19H,7,9H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyCXVJKQMCYLFLON-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.09
Rot. Bonds4

About N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide

N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide (PubChem CID 103719083) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
PubChem CID103719083
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)7-12(19)9-16-14(20)10-4-5-13-11(6-10)8-17-18-13/h4-6,8,12,19H,7,9H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyCXVJKQMCYLFLON-UHFFFAOYSA-N
XLogP2.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
CID 103876908
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide (CID 103719083) is N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide is CC(C)(C)CC(O)CNC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide?
The InChIKey is CXVJKQMCYLFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)7-12(19)9-16-14(20)10-4-5-13-11(6-10)8-17-18-13/h4-6,8,12,19H,7,9H2,1-3H3,(H,16,20)(H,17,18).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide?
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 103719083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).