N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide

C15H10ClN3O3 — CID 53006452

IUPACN-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)n1ncc2cc(Cl)ccc21
InChIInChI=1S/C15H10ClN3O3/c16-10-1-3-12-9(5-10)7-17-19(12)15(20)18-11-2-4-13-14(6-11)22-8-21-13/h1-7H,8H2,(H,18,20)
InChIKeyOHKWAHJUYQWOHC-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.50
Rot. Bonds1

About N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide

N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide (PubChem CID 53006452) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide
PubChem CID53006452
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)n1ncc2cc(Cl)ccc21
InChIInChI=1S/C15H10ClN3O3/c16-10-1-3-12-9(5-10)7-17-19(12)15(20)18-11-2-4-13-14(6-11)22-8-21-13/h1-7H,8H2,(H,18,20)
InChIKeyOHKWAHJUYQWOHC-UHFFFAOYSA-N
XLogP3.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide (CID 53006452) is N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)n1ncc2cc(Cl)ccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide?
The InChIKey is OHKWAHJUYQWOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-10-1-3-12-9(5-10)7-17-19(12)15(20)18-11-2-4-13-14(6-11)22-8-21-13/h1-7H,8H2,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide has a molecular weight of 315.72 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-chloroindazole-1-carboxamide is sourced from PubChem (CID 53006452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).