3-(hydroxymethyl)-1-phenylindazole-7-carboxamide

C15H13N3O2 — CID 122604333

IUPAC3-(hydroxymethyl)-1-phenylindazole-7-carboxamide
SMILESNC(=O)c1cccc2c(CO)nn(-c3ccccc3)c12
InChIInChI=1S/C15H13N3O2/c16-15(20)12-8-4-7-11-13(9-19)17-18(14(11)12)10-5-2-1-3-6-10/h1-8,19H,9H2,(H2,16,20)
InChIKeyQOZDJHXPDAWXMR-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.62
Rot. Bonds3

About 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide

3-(hydroxymethyl)-1-phenylindazole-7-carboxamide (PubChem CID 122604333) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-phenylindazole-7-carboxamide
PubChem CID122604333
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(hydroxymethyl)-1-phenylindazole-7-carboxamide
SMILESNC(=O)c1cccc2c(CO)nn(-c3ccccc3)c12
InChIInChI=1S/C15H13N3O2/c16-15(20)12-8-4-7-11-13(9-19)17-18(14(11)12)10-5-2-1-3-6-10/h1-8,19H,9H2,(H2,16,20)
InChIKeyQOZDJHXPDAWXMR-UHFFFAOYSA-N
XLogP1.62
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide (CID 122604333) is 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide is NC(=O)c1cccc2c(CO)nn(-c3ccccc3)c12.
What is the InChIKey of 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide?
The InChIKey is QOZDJHXPDAWXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-15(20)12-8-4-7-11-13(9-19)17-18(14(11)12)10-5-2-1-3-6-10/h1-8,19H,9H2,(H2,16,20).
What are the key properties of 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide?
3-(hydroxymethyl)-1-phenylindazole-7-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-phenylindazole-7-carboxamide is sourced from PubChem (CID 122604333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).