1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene

C22H35F3N2OS — CID 143533921

IUPAC1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene
SMILESC=CC.CCCCCCCCCO.Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C10H9F3N2S.C9H20O.C3H6/c1-6-3-4-8(16-6)7-5-9(10(11,12)13)15(2)14-7;1-2-3-4-5-6-7-8-9-10;1-3-2/h3-5H,1-2H3;10H,2-9H2,1H3;3H,1H2,2H3
InChIKeyADIUIVIETGRBOL-UHFFFAOYSA-N
MW432.60 g/mol
LogP7.40
Rot. Bonds8

About 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene

1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene (PubChem CID 143533921) has the molecular formula C22H35F3N2OS and a molecular weight of 432.60 g/mol. Its IUPAC name is 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene.

Molecular Properties

Compound Name1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene
PubChem CID143533921
Molecular FormulaC22H35F3N2OS
Molecular Weight432.60 g/mol
Exact Mass432.24
IUPAC Name1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene
SMILESC=CC.CCCCCCCCCO.Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C10H9F3N2S.C9H20O.C3H6/c1-6-3-4-8(16-6)7-5-9(10(11,12)13)15(2)14-7;1-2-3-4-5-6-7-8-9-10;1-3-2/h3-5H,1-2H3;10H,2-9H2,1H3;3H,1H2,2H3
InChIKeyADIUIVIETGRBOL-UHFFFAOYSA-N
XLogP7.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.60
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 4076860
{5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl}methanol
CID 2780713
1-methyl-3-(thiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 2780594
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
1-Methyl-5-(5-propan-2-ylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 20645359
1-Methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 20767953
1-Methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21051085
1-Methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21337158
1-Methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
CID 22087725
5-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-amine
CID 22288393
1-[[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine
CID 49834437
4-Fluoro-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine
CID 49834626

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene?
The IUPAC name of 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene (CID 143533921) is 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene.
What is the SMILES notation for 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene?
The canonical SMILES for 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene is C=CC.CCCCCCCCCO.Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene?
The InChIKey is ADIUIVIETGRBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S.C9H20O.C3H6/c1-6-3-4-8(16-6)7-5-9(10(11,12)13)15(2)14-7;1-2-3-4-5-6-7-8-9-10;1-3-2/h3-5H,1-2H3;10H,2-9H2,1H3;3H,1H2,2H3.
What are the key properties of 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene?
1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene has a molecular weight of 432.60 g/mol, XLogP of 7.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole;nonan-1-ol;prop-1-ene is sourced from PubChem (CID 143533921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).