1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole

C10H15F3N2 — CID 70838167

IUPAC1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole
SMILESCCCCCc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H15F3N2/c1-3-4-5-6-8-7-9(10(11,12)13)15(2)14-8/h7H,3-6H2,1-2H3
InChIKeyLYRDGZSHHZOQSG-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.17
Rot. Bonds4

About 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole

1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole (PubChem CID 70838167) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole
PubChem CID70838167
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole
SMILESCCCCCc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H15F3N2/c1-3-4-5-6-8-7-9(10(11,12)13)15(2)14-8/h7H,3-6H2,1-2H3
InChIKeyLYRDGZSHHZOQSG-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole (CID 70838167) is 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole is CCCCCc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole?
The InChIKey is LYRDGZSHHZOQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-3-4-5-6-8-7-9(10(11,12)13)15(2)14-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole?
1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70838167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).