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

C20H16F2N2OS — CID 7074512

IUPAC(4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1[C@H]1CN(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/t15-/m1/s1
InChIKeyCSXDJDQEQGACBI-OAHLLOKOSA-N
MW370.42 g/mol
LogP5.04
Rot. Bonds4

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

(4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 7074512) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID7074512
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name(4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1[C@H]1CN(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/t15-/m1/s1
InChIKeyCSXDJDQEQGACBI-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 7074512) is (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is COc1ccccc1[C@H]1CN(c2ccc(F)cc2F)N=C1c1cccs1.
What is the InChIKey of (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is CSXDJDQEQGACBI-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
(4S)-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 (4S)-2-(2,4-difluorophenyl)-4-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 7074512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).