5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole

C18H19FN2 — CID 56590130

IUPAC5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole
SMILESCCc1ccc(C2=NN(C)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H19FN2/c1-3-13-4-6-14(7-5-13)17-12-18(21(2)20-17)15-8-10-16(19)11-9-15/h4-11,18H,3,12H2,1-2H3
InChIKeyOUBPXGHNMITMTH-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.17
Rot. Bonds3

About 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole

5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole (PubChem CID 56590130) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole
PubChem CID56590130
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole
SMILESCCc1ccc(C2=NN(C)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H19FN2/c1-3-13-4-6-14(7-5-13)17-12-18(21(2)20-17)15-8-10-16(19)11-9-15/h4-11,18H,3,12H2,1-2H3
InChIKeyOUBPXGHNMITMTH-UHFFFAOYSA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
Dihydropyrazole, 7
CID 10286584
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 10376837
3-(4-fluorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 11602080
3,5-Dip-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 11609265
2-Methyl-3-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole
CID 2732715
3-(4-Fluorophenyl)-2-methyl-2,3,3a,4,5,6-hexahydrobenzo[6,7]cyclohepta[c]pyrazole
CID 2737842
(4-fluorophenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 2987469
(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)acetonitrile
CID 3544811
2-Methyl-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 275641
(S)-1-(3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44426731

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole (CID 56590130) is 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole is CCc1ccc(C2=NN(C)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole?
The InChIKey is OUBPXGHNMITMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-3-13-4-6-14(7-5-13)17-12-18(21(2)20-17)15-8-10-16(19)11-9-15/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole?
5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole has a molecular weight of 282.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 56590130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).