3-(4-methoxyphenyl)-1H-indazole-5-carboxamide

C15H13N3O2 — CID 22479950

IUPAC3-(4-methoxyphenyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1
InChIInChI=1S/C15H13N3O2/c1-20-11-5-2-9(3-6-11)14-12-8-10(15(16)19)4-7-13(12)17-18-14/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyUDJDNKGGBIIFJV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds3

About 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide

3-(4-methoxyphenyl)-1H-indazole-5-carboxamide (PubChem CID 22479950) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1H-indazole-5-carboxamide
PubChem CID22479950
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(4-methoxyphenyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1
InChIInChI=1S/C15H13N3O2/c1-20-11-5-2-9(3-6-11)14-12-8-10(15(16)19)4-7-13(12)17-18-14/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyUDJDNKGGBIIFJV-UHFFFAOYSA-N
XLogP2.34
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide (CID 22479950) is 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide is COc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide?
The InChIKey is UDJDNKGGBIIFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-11-5-2-9(3-6-11)14-12-8-10(15(16)19)4-7-13(12)17-18-14/h2-8H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide?
3-(4-methoxyphenyl)-1H-indazole-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).