N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide

C15H21N3O — CID 63851037

IUPACN-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-4-11(5-2)10(3)16-15(19)14-12-8-6-7-9-13(12)17-18-14/h6-11H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySJJAYSFWRNZMSK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.12
Rot. Bonds5

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

N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide (PubChem CID 63851037) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
PubChem CID63851037
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-4-11(5-2)10(3)16-15(19)14-12-8-6-7-9-13(12)17-18-14/h6-11H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySJJAYSFWRNZMSK-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
CID 113322050

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide (CID 63851037) is N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide is CCC(CC)C(C)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is SJJAYSFWRNZMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-11(5-2)10(3)16-15(19)14-12-8-6-7-9-13(12)17-18-14/h6-11H,4-5H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide?
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 63851037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).