3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole

C18H12ClF3N4O2S2 — CID 2820325

IUPAC3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(-c3ccn(S(=O)(=O)c4ccc(Cl)cc4)n3)s2)cc1C(F)(F)F
InChIInChI=1S/C18H12ClF3N4O2S2/c1-25-17(18(20,21)22)10-14(23-25)16-7-6-15(29-16)13-8-9-26(24-13)30(27,28)12-4-2-11(19)3-5-12/h2-10H,1H3
InChIKeyNPSRDWQWMMPSKG-UHFFFAOYSA-N
MW472.90 g/mol
LogP4.92
Rot. Bonds4

About 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole

3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 2820325) has the molecular formula C18H12ClF3N4O2S2 and a molecular weight of 472.90 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID2820325
Molecular FormulaC18H12ClF3N4O2S2
Molecular Weight472.90 g/mol
Exact Mass472.00
IUPAC Name3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(-c3ccn(S(=O)(=O)c4ccc(Cl)cc4)n3)s2)cc1C(F)(F)F
InChIInChI=1S/C18H12ClF3N4O2S2/c1-25-17(18(20,21)22)10-14(23-25)16-7-6-15(29-16)13-8-9-26(24-13)30(27,28)12-4-2-11(19)3-5-12/h2-10H,1H3
InChIKeyNPSRDWQWMMPSKG-UHFFFAOYSA-N
XLogP4.92
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.90
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-Methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
CID 2820328
(E)-2-(4-chlorophenyl)sulfonyl-3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]prop-2-enenitrile
CID 5897783
3,5-Dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole
CID 2820449
N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine
CID 2821134
N-[(4-chlorophenyl)-methylidene-oxo-lambda6-sulfanyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 155549433
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820442
3-[5-(4-Chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 2820854
1'-[(4-chlorophenyl)sulfonyl]-1,1'',5,5''-tetramethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
CID 19588108
1'-[(4-chlorophenyl)sulfonyl]-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
CID 19588122
N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 59633051
1-[(5-Chlorothiophen-2-yl)methyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 59633266
1-[(5-Chlorothiophen-2-yl)methyl]-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
CID 59633410

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole (CID 2820325) is 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccc(-c3ccn(S(=O)(=O)c4ccc(Cl)cc4)n3)s2)cc1C(F)(F)F.
What is the InChIKey of 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is NPSRDWQWMMPSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O2S2/c1-25-17(18(20,21)22)10-14(23-25)16-7-6-15(29-16)13-8-9-26(24-13)30(27,28)12-4-2-11(19)3-5-12/h2-10H,1H3.
What are the key properties of 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 472.90 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2820325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).