N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C25H20N4O3 — CID 55792966

IUPACN-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C25H20N4O3/c30-24(27-23-13-14-29(28-23)20-10-2-1-3-11-20)18-8-6-9-19(15-18)26-25(31)22-16-17-7-4-5-12-21(17)32-22/h1-15,22H,16H2,(H,26,31)(H,27,28,30)
InChIKeyJOGOAJZIGMQFMO-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.07
Rot. Bonds5

About N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55792966) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55792966
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C25H20N4O3/c30-24(27-23-13-14-29(28-23)20-10-2-1-3-11-20)18-8-6-9-19(15-18)26-25(31)22-16-17-7-4-5-12-21(17)32-22/h1-15,22H,16H2,(H,26,31)(H,27,28,30)
InChIKeyJOGOAJZIGMQFMO-UHFFFAOYSA-N
XLogP4.07
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55792966) is N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.
What is the InChIKey of N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JOGOAJZIGMQFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-24(27-23-13-14-29(28-23)20-10-2-1-3-11-20)18-8-6-9-19(15-18)26-25(31)22-16-17-7-4-5-12-21(17)32-22/h1-15,22H,16H2,(H,26,31)(H,27,28,30).
What are the key properties of N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55792966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).