5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole

C8H9F3N2 — CID 150394513

IUPAC5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole
SMILESCn1ncc(C(F)(F)F)c1C1CC1
InChIInChI=1S/C8H9F3N2/c1-13-7(5-2-3-5)6(4-12-13)8(9,10)11/h4-5H,2-3H2,1H3
InChIKeyHCKNEEZDEHUNIL-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.32
Rot. Bonds1

About 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole

5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole (PubChem CID 150394513) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole
PubChem CID150394513
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole
SMILESCn1ncc(C(F)(F)F)c1C1CC1
InChIInChI=1S/C8H9F3N2/c1-13-7(5-2-3-5)6(4-12-13)8(9,10)11/h4-5H,2-3H2,1H3
InChIKeyHCKNEEZDEHUNIL-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole (CID 150394513) is 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole is Cn1ncc(C(F)(F)F)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole?
The InChIKey is HCKNEEZDEHUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-13-7(5-2-3-5)6(4-12-13)8(9,10)11/h4-5H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole?
5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole has a molecular weight of 190.17 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 150394513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).