1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole

C11H15F3N2 — CID 70988470

IUPAC1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(C(F)(F)F)nn(CC2CC2)c1C
InChIInChI=1S/C11H15F3N2/c1-3-9-7(2)16(6-8-4-5-8)15-10(9)11(12,13)14/h8H,3-6H2,1-2H3
InChIKeyCCTMEYCGIGUHPQ-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.18
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole

1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 70988470) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID70988470
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(C(F)(F)F)nn(CC2CC2)c1C
InChIInChI=1S/C11H15F3N2/c1-3-9-7(2)16(6-8-4-5-8)15-10(9)11(12,13)14/h8H,3-6H2,1-2H3
InChIKeyCCTMEYCGIGUHPQ-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole (CID 70988470) is 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole is CCc1c(C(F)(F)F)nn(CC2CC2)c1C.
What is the InChIKey of 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is CCTMEYCGIGUHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-9-7(2)16(6-8-4-5-8)15-10(9)11(12,13)14/h8H,3-6H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 232.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-ethyl-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70988470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).