2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

C20H16F2N2OS — CID 581709

IUPAC2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CN(c2ccc(F)cc2F)N=C1c1cccs1
InChIInChI=1S/C20H16F2N2OS/c1-25-18-6-3-2-5-14(18)15-12-24(17-9-8-13(21)11-16(17)22)23-20(15)19-7-4-10-26-19/h2-11,15H,12H2,1H3
InChIKeyCSXDJDQEQGACBI-UHFFFAOYSA-N
MW370.42 g/mol
LogP5.04
Rot. Bonds4

About 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 581709) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID581709
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CN(c2ccc(F)cc2F)N=C1c1cccs1
InChIInChI=1S/C20H16F2N2OS/c1-25-18-6-3-2-5-14(18)15-12-24(17-9-8-13(21)11-16(17)22)23-20(15)19-7-4-10-26-19/h2-11,15H,12H2,1H3
InChIKeyCSXDJDQEQGACBI-UHFFFAOYSA-N
XLogP5.04
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 4,5-dihydro-3-(4-methoxyphenyl)-1-phenyl-5-(2-thienyl)-
CID 2818668
4-[5-(4-Methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]benzenesulfonamide
CID 44143712
5-(4-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888128
4-(2-Methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2842530
1-(2-methoxyphenyl)-5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 11835237
1-(2,4-difluorophenyl)-4-(2,3-dimethoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 4097071
5-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2854247
1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-1-phenyl-3-(thienyl)-
CID 3122786
4-[5-(4-Methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 171350740
4-[5-(4-Methoxyphenyl)-3-(3-thienyl)-2-pyrazolin-1-yl]benzenesulfonamide
CID 44143713
1-[5-(2-methoxyphenyl)-2'-phenyl-5'-(thiophen-3-yl)-2H,2'H,3H,3'H,4H,4'H-[3,3'-bipyrazole]-2-yl]ethan-1-one
CID 76145475
2-(3-Chlorophenyl)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 139218051

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 581709) is 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is COc1ccccc1C1CN(c2ccc(F)cc2F)N=C1c1cccs1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is CSXDJDQEQGACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c1-25-18-6-3-2-5-14(18)15-12-24(17-9-8-13(21)11-16(17)22)23-20(15)19-7-4-10-26-19/h2-11,15H,12H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 370.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 581709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).