N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide

C19H13N3O4 — CID 71870516

IUPACN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide
SMILESO=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)c1coc2ccccc12
InChIInChI=1S/C19H13N3O4/c23-19(14-9-24-15-4-2-1-3-12(14)15)21-18-13(8-20-22-18)11-5-6-16-17(7-11)26-10-25-16/h1-9H,10H2,(H2,20,21,22,23)
InChIKeyZKBWHBLCAUZYNI-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.80
Rot. Bonds3

About N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide

N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide (PubChem CID 71870516) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide
PubChem CID71870516
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide
SMILESO=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)c1coc2ccccc12
InChIInChI=1S/C19H13N3O4/c23-19(14-9-24-15-4-2-1-3-12(14)15)21-18-13(8-20-22-18)11-5-6-16-17(7-11)26-10-25-16/h1-9H,10H2,(H2,20,21,22,23)
InChIKeyZKBWHBLCAUZYNI-UHFFFAOYSA-N
XLogP3.80
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide
CID 75422884
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoropyridine-3-carboxamide
CID 122143847
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-(cyclopropylmethylamino)acetamide
CID 119806598
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 154758657
(2S,4S)-N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636546
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806603
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 122149889
4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805786
N-pyridin-4-yl-1-benzofuran-3-carboxamide
CID 6492144
2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 5212111
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide
CID 17438402
2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide (CID 71870516) is N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide is O=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)c1coc2ccccc12.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide?
The InChIKey is ZKBWHBLCAUZYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-19(14-9-24-15-4-2-1-3-12(14)15)21-18-13(8-20-22-18)11-5-6-16-17(7-11)26-10-25-16/h1-9H,10H2,(H2,20,21,22,23).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide?
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71870516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).