7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide

C11H8ClN3O3 — CID 61393952

IUPAC7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C11H8ClN3O3/c12-7-3-6(4-8-10(7)18-5-17-8)11(16)14-9-1-2-13-15-9/h1-4H,5H2,(H2,13,14,15,16)
InChIKeyRNXZNCQUXKXEBQ-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.04
Rot. Bonds2

About 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide

7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 61393952) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID61393952
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C11H8ClN3O3/c12-7-3-6(4-8-10(7)18-5-17-8)11(16)14-9-1-2-13-15-9/h1-4H,5H2,(H2,13,14,15,16)
InChIKeyRNXZNCQUXKXEBQ-UHFFFAOYSA-N
XLogP2.04
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-N-(5-chloro-2-hydroxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 56581240
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
7-chloro-N-(2-fluoro-4-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26700464
7-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 43063185
N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 9467437
7-chloro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 55716894
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
7-chloro-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 34730057
7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55767444
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide
CID 9480093
7-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46654256

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide (CID 61393952) is 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccn[nH]1)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is RNXZNCQUXKXEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-7-3-6(4-8-10(7)18-5-17-8)11(16)14-9-1-2-13-15-9/h1-4H,5H2,(H2,13,14,15,16).
What are the key properties of 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide?
7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 265.66 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 61393952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).