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

C15H10ClF3N2S2 — CID 2820854

IUPAC3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(Sc3ccc(Cl)cc3)s2)cc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N2S2/c1-21-13(15(17,18)19)8-11(20-21)12-6-7-14(23-12)22-10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyGVHJNXGIGRJJEJ-UHFFFAOYSA-N
MW374.84 g/mol
LogP5.97
Rot. Bonds3

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

3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 2820854) has the molecular formula C15H10ClF3N2S2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID2820854
Molecular FormulaC15H10ClF3N2S2
Molecular Weight374.84 g/mol
Exact Mass373.99
IUPAC Name3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(Sc3ccc(Cl)cc3)s2)cc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N2S2/c1-21-13(15(17,18)19)8-11(20-21)12-6-7-14(23-12)22-10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyGVHJNXGIGRJJEJ-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.84
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
CID 2775671
Methyl 4-[(4-chlorophenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339362
(E)-2-(4-chlorophenyl)sulfonyl-3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]prop-2-enenitrile
CID 5897783
5-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]thiophene-2-sulfonyl chloride
CID 2775673
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-(2,3-dichlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 172435009
1-(4-Chlorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812744
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 4076860
1-[(z)-2-(4-Chlorophenylsulfanyl)-1,2-difluoro-vinyl]-3,5-dimethyl-1h-pyrazole
CID 129751214
3-[5-[1-(4-Chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 2820325
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820442

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole (CID 2820854) is 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccc(Sc3ccc(Cl)cc3)s2)cc1C(F)(F)F.
What is the InChIKey of 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is GVHJNXGIGRJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2S2/c1-21-13(15(17,18)19)8-11(20-21)12-6-7-14(23-12)22-10-4-2-9(16)3-5-10/h2-8H,1H3.
What are the key properties of 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 374.84 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2820854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).