5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide

C16H14ClN3O3 — CID 50756049

IUPAC5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C16H14ClN3O3/c1-22-12-4-5-13(15(8-12)23-2)19-16(21)20-14-6-3-11(17)7-10(14)9-18-20/h3-9H,1-2H3,(H,19,21)
InChIKeyGNTSIKKNLQSHKC-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide

5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide (PubChem CID 50756049) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide
PubChem CID50756049
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C16H14ClN3O3/c1-22-12-4-5-13(15(8-12)23-2)19-16(21)20-14-6-3-11(17)7-10(14)9-18-20/h3-9H,1-2H3,(H,19,21)
InChIKeyGNTSIKKNLQSHKC-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide?
The IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide (CID 50756049) is 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide is COc1ccc(NC(=O)n2ncc3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide?
The InChIKey is GNTSIKKNLQSHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-22-12-4-5-13(15(8-12)23-2)19-16(21)20-14-6-3-11(17)7-10(14)9-18-20/h3-9H,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-(2,4-dimethoxyphenyl)indazole-1-carboxamide?
5-chloro-N-(2,4-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-(2,4-dimethoxyphenyl)indazole-1-carboxamide is sourced from PubChem (CID 50756049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).