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

C17H13N3O3 — CID 35532209

IUPACN-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H13N3O3/c21-17(12-6-7-14-15(8-12)23-10-22-14)18-16-9-13(19-20-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,20,21)
InChIKeyHUVRBFZBTWHMSI-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.06
Rot. Bonds3

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

N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 35532209) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID35532209
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H13N3O3/c21-17(12-6-7-14-15(8-12)23-10-22-14)18-16-9-13(19-20-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,20,21)
InChIKeyHUVRBFZBTWHMSI-UHFFFAOYSA-N
XLogP3.06
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-phenyl-1H-pyrazol-3-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

N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 5330996
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110868216
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-(5-phenyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 110868204
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide (CID 35532209) is N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is HUVRBFZBTWHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-17(12-6-7-14-15(8-12)23-10-22-14)18-16-9-13(19-20-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,20,21).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide?
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 35532209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).