5-chloro-N-(2-methylphenyl)indazole-1-carboxamide

C15H12ClN3O — CID 22510510

IUPAC5-chloro-N-(2-methylphenyl)indazole-1-carboxamide
SMILESCc1ccccc1NC(=O)n1ncc2cc(Cl)ccc21
InChIInChI=1S/C15H12ClN3O/c1-10-4-2-3-5-13(10)18-15(20)19-14-7-6-12(16)8-11(14)9-17-19/h2-9H,1H3,(H,18,20)
InChIKeyGEPVQIRAVUZDOX-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.08
Rot. Bonds1

About 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide

5-chloro-N-(2-methylphenyl)indazole-1-carboxamide (PubChem CID 22510510) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylphenyl)indazole-1-carboxamide
PubChem CID22510510
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-chloro-N-(2-methylphenyl)indazole-1-carboxamide
SMILESCc1ccccc1NC(=O)n1ncc2cc(Cl)ccc21
InChIInChI=1S/C15H12ClN3O/c1-10-4-2-3-5-13(10)18-15(20)19-14-7-6-12(16)8-11(14)9-17-19/h2-9H,1H3,(H,18,20)
InChIKeyGEPVQIRAVUZDOX-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide (CID 22510510) is 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide is Cc1ccccc1NC(=O)n1ncc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide?
The InChIKey is GEPVQIRAVUZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-10-4-2-3-5-13(10)18-15(20)19-14-7-6-12(16)8-11(14)9-17-19/h2-9H,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide?
5-chloro-N-(2-methylphenyl)indazole-1-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylphenyl)indazole-1-carboxamide is sourced from PubChem (CID 22510510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).