N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

C27H22ClFN4O2S — CID 22524019

IUPACN-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(C2CC(c3ccc(F)cc3)=NN2C2=NC(=O)C(CC(=O)Nc3cccc(Cl)c3)S2)cc1
InChIInChI=1S/C27H22ClFN4O2S/c1-16-5-7-18(8-6-16)23-14-22(17-9-11-20(29)12-10-17)32-33(23)27-31-26(35)24(36-27)15-25(34)30-21-4-2-3-19(28)13-21/h2-13,23-24H,14-15H2,1H3,(H,30,34)
InChIKeyTURBAZZNERXBTP-UHFFFAOYSA-N
MW521.02 g/mol
LogP5.97
Rot. Bonds5

About N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 22524019) has the molecular formula C27H22ClFN4O2S and a molecular weight of 521.02 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID22524019
Molecular FormulaC27H22ClFN4O2S
Molecular Weight521.02 g/mol
Exact Mass520.11
IUPAC NameN-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(C2CC(c3ccc(F)cc3)=NN2C2=NC(=O)C(CC(=O)Nc3cccc(Cl)c3)S2)cc1
InChIInChI=1S/C27H22ClFN4O2S/c1-16-5-7-18(8-6-16)23-14-22(17-9-11-20(29)12-10-17)32-33(23)27-31-26(35)24(36-27)15-25(34)30-21-4-2-3-19(28)13-21/h2-13,23-24H,14-15H2,1H3,(H,30,34)
InChIKeyTURBAZZNERXBTP-UHFFFAOYSA-N
XLogP5.97
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 22524019) is N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is Cc1ccc(C2CC(c3ccc(F)cc3)=NN2C2=NC(=O)C(CC(=O)Nc3cccc(Cl)c3)S2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is TURBAZZNERXBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN4O2S/c1-16-5-7-18(8-6-16)23-14-22(17-9-11-20(29)12-10-17)32-33(23)27-31-26(35)24(36-27)15-25(34)30-21-4-2-3-19(28)13-21/h2-13,23-24H,14-15H2,1H3,(H,30,34).
What are the key properties of N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 521.02 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 22524019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).