1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole

C13H15F3N2S — CID 143534116

IUPAC1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole
SMILESCCCc1c(-c2ccc(C)s2)nn(C)c1C(F)(F)F
InChIInChI=1S/C13H15F3N2S/c1-4-5-9-11(10-7-6-8(2)19-10)17-18(3)12(9)13(14,15)16/h6-7H,4-5H2,1-3H3
InChIKeyILYRDENXUUORPV-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.43
Rot. Bonds3

About 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole

1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole (PubChem CID 143534116) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole
PubChem CID143534116
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole
SMILESCCCc1c(-c2ccc(C)s2)nn(C)c1C(F)(F)F
InChIInChI=1S/C13H15F3N2S/c1-4-5-9-11(10-7-6-8(2)19-10)17-18(3)12(9)13(14,15)16/h6-7H,4-5H2,1-3H3
InChIKeyILYRDENXUUORPV-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(5-methylthiophen-2-yl)-4-propylpyrazol-5-amine
CID 79406055
3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine
CID 79406046
4-hept-3-ynyl-1-methyl-3,5-bis(trifluoromethyl)pyrazole
CID 83930220
5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
CID 79405287
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497851
1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141286
[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-4-yl]methanamine
CID 79485670
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine
CID 43158510
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44824533

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole (CID 143534116) is 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole is CCCc1c(-c2ccc(C)s2)nn(C)c1C(F)(F)F.
What is the InChIKey of 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole?
The InChIKey is ILYRDENXUUORPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-4-5-9-11(10-7-6-8(2)19-10)17-18(3)12(9)13(14,15)16/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole?
1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole has a molecular weight of 288.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylthiophen-2-yl)-4-propyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 143534116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).