N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide

C15H21N3O — CID 78966222

IUPACN-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
SMILESCC(CNC(=O)c1n[nH]c2ccccc12)C(C)(C)C
InChIInChI=1S/C15H21N3O/c1-10(15(2,3)4)9-16-14(19)13-11-7-5-6-8-12(11)17-18-13/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJCUNFZKAXPXBIA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds3

About N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide

N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide (PubChem CID 78966222) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
PubChem CID78966222
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
SMILESCC(CNC(=O)c1n[nH]c2ccccc12)C(C)(C)C
InChIInChI=1S/C15H21N3O/c1-10(15(2,3)4)9-16-14(19)13-11-7-5-6-8-12(11)17-18-13/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJCUNFZKAXPXBIA-UHFFFAOYSA-N
XLogP2.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
CID 113322050
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096
N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-indazole-3-carboxamide
CID 110889118
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide (CID 78966222) is N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide is CC(CNC(=O)c1n[nH]c2ccccc12)C(C)(C)C.
What is the InChIKey of N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide?
The InChIKey is JCUNFZKAXPXBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(15(2,3)4)9-16-14(19)13-11-7-5-6-8-12(11)17-18-13/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide?
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 78966222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).