(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone

C20H16N2O2 — CID 2952118

IUPAC(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-20(19-12-7-13-24-19)22-18(16-10-5-2-6-11-16)14-17(21-22)15-8-3-1-4-9-15/h1-13,18H,14H2
InChIKeyVEIXLXIVAMCBLZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.27
Rot. Bonds3

About (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone

(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone (PubChem CID 2952118) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone
PubChem CID2952118
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-20(19-12-7-13-24-19)22-18(16-10-5-2-6-11-16)14-17(21-22)15-8-3-1-4-9-15/h1-13,18H,14H2
InChIKeyVEIXLXIVAMCBLZ-UHFFFAOYSA-N
XLogP4.27
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone?
The IUPAC name of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone (CID 2952118) is (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone?
The canonical SMILES for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone is O=C(c1ccco1)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone?
The InChIKey is VEIXLXIVAMCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-20(19-12-7-13-24-19)22-18(16-10-5-2-6-11-16)14-17(21-22)15-8-3-1-4-9-15/h1-13,18H,14H2.
What are the key properties of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone?
(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 2952118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).