4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole

C25H19ClFN3OS — CID 45151173

IUPAC4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H19ClFN3OS/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(27)11-5-18)30(29-22)25-28-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24H,14H2,1H3
InChIKeyJFISUIGTIFMMMJ-UHFFFAOYSA-N
MW463.97 g/mol
LogP6.97
Rot. Bonds5

About 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole

4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (PubChem CID 45151173) has the molecular formula C25H19ClFN3OS and a molecular weight of 463.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
PubChem CID45151173
Molecular FormulaC25H19ClFN3OS
Molecular Weight463.97 g/mol
Exact Mass463.09
IUPAC Name4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H19ClFN3OS/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(27)11-5-18)30(29-22)25-28-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24H,14H2,1H3
InChIKeyJFISUIGTIFMMMJ-UHFFFAOYSA-N
XLogP6.97
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (CID 45151173) is 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The InChIKey is JFISUIGTIFMMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3OS/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(27)11-5-18)30(29-22)25-28-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24H,14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole has a molecular weight of 463.97 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 45151173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).