5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide

C16H14ClN3O3 — CID 22510700

IUPAC5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide
SMILESCOc1cc(NC(=O)n2ncc3cc(Cl)ccc32)cc(OC)c1
InChIInChI=1S/C16H14ClN3O3/c1-22-13-6-12(7-14(8-13)23-2)19-16(21)20-15-4-3-11(17)5-10(15)9-18-20/h3-9H,1-2H3,(H,19,21)
InChIKeyLYCYMWLBJHPNLO-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide

5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide (PubChem CID 22510700) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide
PubChem CID22510700
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide
SMILESCOc1cc(NC(=O)n2ncc3cc(Cl)ccc32)cc(OC)c1
InChIInChI=1S/C16H14ClN3O3/c1-22-13-6-12(7-14(8-13)23-2)19-16(21)20-15-4-3-11(17)5-10(15)9-18-20/h3-9H,1-2H3,(H,19,21)
InChIKeyLYCYMWLBJHPNLO-UHFFFAOYSA-N
XLogP3.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510376
5-chloro-N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 22510623
5-chloro-N-(2-methoxy-5-methylphenyl)-1H-indazole-1-carboxamide
CID 22510701
5-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 16016957
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-methoxyindazol-1-yl)phenyl]urea
CID 71580413
5-chloro-N-(2-ethoxyphenyl)-1H-indazole-1-carboxamide
CID 16016911
5-chloro-N-(4-methoxyphenyl)-1H-indazole-1-carboxamide
CID 22510483
N-1,3-benzodioxol-5-yl-5-chloro-1H-indazole-1-carboxamide
CID 53006452
5-Chloro-2-(3-methoxyphenyl)indazole
CID 135038202
5-chloro-N-(3-methoxyphenyl)-1H-indazole-1-carboxamide
CID 22510452
5-chloro-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide
CID 22510488
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indazole-1-carboxamide
CID 22510511

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide?
The IUPAC name of 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide (CID 22510700) is 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide?
The canonical SMILES for 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide is COc1cc(NC(=O)n2ncc3cc(Cl)ccc32)cc(OC)c1.
What is the InChIKey of 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide?
The InChIKey is LYCYMWLBJHPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-22-13-6-12(7-14(8-13)23-2)19-16(21)20-15-4-3-11(17)5-10(15)9-18-20/h3-9H,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide?
5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethoxyphenyl)indazole-1-carboxamide is sourced from PubChem (CID 22510700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).