5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

C20H18N2O — CID 171349522

IUPAC5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccco3)=NN2c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-9-11-16(12-10-15)19-14-18(20-8-5-13-23-20)21-22(19)17-6-3-2-4-7-17/h2-13,19H,14H2,1H3
InChIKeyLBLBVTRAKYBVEX-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.94
Rot. Bonds3

About 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 171349522) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID171349522
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccco3)=NN2c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-9-11-16(12-10-15)19-14-18(20-8-5-13-23-20)21-22(19)17-6-3-2-4-7-17/h2-13,19H,14H2,1H3
InChIKeyLBLBVTRAKYBVEX-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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Related Compounds

(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
CID 56950413
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
3-(4-methylphenyl)-5-[2-[5-[2-[3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]pentoxy]phenyl]-2-phenyl-3,4-dihydropyrazole
CID 102344163
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
3-(diethylamino)-1-[(3S)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 97182951
1-[5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one
CID 71844170
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine
CID 101073019

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 171349522) is 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is Cc1ccc(C2CC(c3ccco3)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is LBLBVTRAKYBVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-9-11-16(12-10-15)19-14-18(20-8-5-13-23-20)21-22(19)17-6-3-2-4-7-17/h2-13,19H,14H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-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 5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 171349522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).