N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide

C15H12ClN3O2 — CID 107271816

IUPACN-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-21-14-7-11(4-5-12(14)16)18-15(20)9-2-3-10-8-17-19-13(10)6-9/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyCNKIZPGDYZQJMG-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.48
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide

N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide (PubChem CID 107271816) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide
PubChem CID107271816
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-21-14-7-11(4-5-12(14)16)18-15(20)9-2-3-10-8-17-19-13(10)6-9/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyCNKIZPGDYZQJMG-UHFFFAOYSA-N
XLogP3.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide (CID 107271816) is N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide is COc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide?
The InChIKey is CNKIZPGDYZQJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-14-7-11(4-5-12(14)16)18-15(20)9-2-3-10-8-17-19-13(10)6-9/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide?
N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 107271816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).