N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide

C17H15N3O4 — CID 121019350

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC(c1ccco1)n1cccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O4/c21-17(12-4-5-15-16(9-12)24-11-23-15)18-10-13(14-3-1-8-22-14)20-7-2-6-19-20/h1-9,13H,10-11H2,(H,18,21)
InChIKeyJRIOJIFQWQMOGD-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 121019350) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID121019350
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC(c1ccco1)n1cccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O4/c21-17(12-4-5-15-16(9-12)24-11-23-15)18-10-13(14-3-1-8-22-14)20-7-2-6-19-20/h1-9,13H,10-11H2,(H,18,21)
InChIKeyJRIOJIFQWQMOGD-UHFFFAOYSA-N
XLogP2.22
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-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-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7217379
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 124873929
3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265981
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7178897
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 34669940
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
CID 122265946
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
CID 121019365
2-cyclohexyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265953

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide (CID 121019350) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCC(c1ccco1)n1cccn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JRIOJIFQWQMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-17(12-4-5-15-16(9-12)24-11-23-15)18-10-13(14-3-1-8-22-14)20-7-2-6-19-20/h1-9,13H,10-11H2,(H,18,21).
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 121019350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).