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

C20H16F2N2OS — CID 7329382

IUPAC(3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccc(F)cc3F)[C@@H](c3cccs3)C2)cc1
InChIInChI=1S/C20H16F2N2OS/c1-25-15-7-4-13(5-8-15)17-12-19(20-3-2-10-26-20)24(23-17)18-9-6-14(21)11-16(18)22/h2-11,19H,12H2,1H3/t19-/m1/s1
InChIKeySAOKUQHWBIWINE-LJQANCHMSA-N
MW370.42 g/mol
LogP5.39
Rot. Bonds4

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

(3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 7329382) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID7329382
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name(3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccc(F)cc3F)[C@@H](c3cccs3)C2)cc1
InChIInChI=1S/C20H16F2N2OS/c1-25-15-7-4-13(5-8-15)17-12-19(20-3-2-10-26-20)24(23-17)18-9-6-14(21)11-16(18)22/h2-11,19H,12H2,1H3/t19-/m1/s1
InChIKeySAOKUQHWBIWINE-LJQANCHMSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-1-(1-phenyl-5-(2-thienyl)(2-pyrazolin-3-yl))benzene
CID 2818668
1-(2,4-Difluorophenyl)-4-(2-methoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 581709
4-[5-(4-Methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]benzenesulfonamide
CID 44143712
5-(4-Ethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888127
5-(4-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888128
4-[1-[4-(Trifluoromethyl)phenyl]-3-(2-thienyl)-4,5-dihydro-1H-pyrazole-5-yl]phenol
CID 91799364
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
5-(3-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888130
3-(4-methoxyphenyl)-2-phenyl-3a,4-dihydro-3H-thiochromeno[4,3-c]pyrazole
CID 2729943
1-(2,4-difluorophenyl)-4-(2,3-dimethoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 4097071
1-(4-Methanesulfonylphenyl)-3-(4-methoxyphenyl)-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazole (14c)
CID 118855465

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole (CID 7329382) is (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccc(F)cc3F)[C@@H](c3cccs3)C2)cc1.
What is the InChIKey of (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is SAOKUQHWBIWINE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c1-25-15-7-4-13(5-8-15)17-12-19(20-3-2-10-26-20)24(23-17)18-9-6-14(21)11-16(18)22/h2-11,19H,12H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
(3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 370.42 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 7329382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).