N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide

C18H19N3O3 — CID 17397509

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C18H19N3O3/c1-11(14-10-12(23-2)8-9-16(14)24-3)19-18(22)17-13-6-4-5-7-15(13)20-21-17/h4-11H,1-3H3,(H,19,22)(H,20,21)
InChIKeyWCXSFUHEQMCYHZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 17397509) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
PubChem CID17397509
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C18H19N3O3/c1-11(14-10-12(23-2)8-9-16(14)24-3)19-18(22)17-13-6-4-5-7-15(13)20-21-17/h4-11H,1-3H3,(H,19,22)(H,20,21)
InChIKeyWCXSFUHEQMCYHZ-UHFFFAOYSA-N
XLogP3.07
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907001
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508228
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479909
N-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9477584

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide (CID 17397509) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is WCXSFUHEQMCYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(14-10-12(23-2)8-9-16(14)24-3)19-18(22)17-13-6-4-5-7-15(13)20-21-17/h4-11H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 17397509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).