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

C20H17FN2O — CID 2855982

IUPAC5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(N2N=C(c3ccc(F)cc3)CC2c2ccco2)cc1
InChIInChI=1S/C20H17FN2O/c1-14-4-10-17(11-5-14)23-19(20-3-2-12-24-20)13-18(22-23)15-6-8-16(21)9-7-15/h2-12,19H,13H2,1H3
InChIKeyDQOPKSQYRRUWBG-UHFFFAOYSA-N
MW320.37 g/mol
LogP5.08
Rot. Bonds3

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

5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole (PubChem CID 2855982) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole
PubChem CID2855982
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(N2N=C(c3ccc(F)cc3)CC2c2ccco2)cc1
InChIInChI=1S/C20H17FN2O/c1-14-4-10-17(11-5-14)23-19(20-3-2-12-24-20)13-18(22-23)15-6-8-16(21)9-7-15/h2-12,19H,13H2,1H3
InChIKeyDQOPKSQYRRUWBG-UHFFFAOYSA-N
XLogP5.08
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2856224
CID 2856224
CID 2834912
CID 2834912
CID 561651
CID 561651
CID 4609705
CID 4609705
CID 560996
CID 560996
CID 564008
CID 564008
CID 2952193
CID 2952193
CID 2953052
CID 2953052
CID 3119020
CID 3119020
CID 11841141
CID 11841141
CID 15945043
CID 15945043
CID 46915786
CID 46915786

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole (CID 2855982) is 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole is Cc1ccc(N2N=C(c3ccc(F)cc3)CC2c2ccco2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole?
The InChIKey is DQOPKSQYRRUWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-14-4-10-17(11-5-14)23-19(20-3-2-12-24-20)13-18(22-23)15-6-8-16(21)9-7-15/h2-12,19H,13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole?
5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole has a molecular weight of 320.37 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 2855982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).