N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide

C13H17N3O — CID 55023710

IUPACN-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
SMILESCC(C)C(C)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-8(2)9(3)15-13(17)10-4-5-11-7-14-16-12(11)6-10/h4-9H,1-3H3,(H,14,16)(H,15,17)
InChIKeyJLHGDTXGVJGOLQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.34
Rot. Bonds3

About N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide

N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide (PubChem CID 55023710) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
PubChem CID55023710
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
SMILESCC(C)C(C)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-8(2)9(3)15-13(17)10-4-5-11-7-14-16-12(11)6-10/h4-9H,1-3H3,(H,14,16)(H,15,17)
InChIKeyJLHGDTXGVJGOLQ-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.34
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-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
CID 106156100
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
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
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715179
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide (CID 55023710) is N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide is CC(C)C(C)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide?
The InChIKey is JLHGDTXGVJGOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)9(3)15-13(17)10-4-5-11-7-14-16-12(11)6-10/h4-9H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide?
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 55023710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).