N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide

C18H19N3O2 — CID 17462645

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2/c1-11-8-9-16(23-3)14(10-11)12(2)19-18(22)17-13-6-4-5-7-15(13)20-21-17/h4-10,12H,1-3H3,(H,19,22)(H,20,21)
InChIKeyOTMNRNZVMMWMJZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 17462645) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
PubChem CID17462645
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2/c1-11-8-9-16(23-3)14(10-11)12(2)19-18(22)17-13-6-4-5-7-15(13)20-21-17/h4-10,12H,1-3H3,(H,19,22)(H,20,21)
InChIKeyOTMNRNZVMMWMJZ-UHFFFAOYSA-N
XLogP3.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866009
N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 18269661
N-[1-(2,5-dimethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 42907042
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9262899
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide (CID 17462645) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide is COc1ccc(C)cc1C(C)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is OTMNRNZVMMWMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-8-9-16(23-3)14(10-11)12(2)19-18(22)17-13-6-4-5-7-15(13)20-21-17/h4-10,12H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 17462645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).