3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole

C20H18N2O — CID 560996

IUPAC3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)o1
InChIInChI=1S/C20H18N2O/c1-15-12-13-20(23-15)19-14-18(16-8-4-2-5-9-16)21-22(19)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3
InChIKeyIIGVCNRPSBBZCF-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.94
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole

3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 560996) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID560996
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)o1
InChIInChI=1S/C20H18N2O/c1-15-12-13-20(23-15)19-14-18(16-8-4-2-5-9-16)21-22(19)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3
InChIKeyIIGVCNRPSBBZCF-UHFFFAOYSA-N
XLogP4.94
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole (CID 560996) is 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole is Cc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is IIGVCNRPSBBZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-12-13-20(23-15)19-14-18(16-8-4-2-5-9-16)21-22(19)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole?
3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 302.38 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 560996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).