5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide

C15H12ClN3O2 — CID 22510483

IUPAC5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3cc(Cl)ccc32)cc1
InChIInChI=1S/C15H12ClN3O2/c1-21-13-5-3-12(4-6-13)18-15(20)19-14-7-2-11(16)8-10(14)9-17-19/h2-9H,1H3,(H,18,20)
InChIKeyZTVRWELPCOEAIP-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.78
Rot. Bonds2

About 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide

5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide (PubChem CID 22510483) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide
PubChem CID22510483
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3cc(Cl)ccc32)cc1
InChIInChI=1S/C15H12ClN3O2/c1-21-13-5-3-12(4-6-13)18-15(20)19-14-7-2-11(16)8-10(14)9-17-19/h2-9H,1H3,(H,18,20)
InChIKeyZTVRWELPCOEAIP-UHFFFAOYSA-N
XLogP3.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide?
The IUPAC name of 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide (CID 22510483) is 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide is COc1ccc(NC(=O)n2ncc3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide?
The InChIKey is ZTVRWELPCOEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-13-5-3-12(4-6-13)18-15(20)19-14-7-2-11(16)8-10(14)9-17-19/h2-9H,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide?
5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxyphenyl)indazole-1-carboxamide is sourced from PubChem (CID 22510483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).