2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone

C12H11F3N4O — CID 4767898

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)n1cccn1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)10-6-9(8-2-3-8)19(17-10)7-11(20)18-5-1-4-16-18/h1,4-6,8H,2-3,7H2
InChIKeyRJOLVVJAUPICAF-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.32
Rot. Bonds3

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone (PubChem CID 4767898) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone
PubChem CID4767898
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)n1cccn1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)10-6-9(8-2-3-8)19(17-10)7-11(20)18-5-1-4-16-18/h1,4-6,8H,2-3,7H2
InChIKeyRJOLVVJAUPICAF-UHFFFAOYSA-N
XLogP2.32
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone (CID 4767898) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)n1cccn1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone?
The InChIKey is RJOLVVJAUPICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)10-6-9(8-2-3-8)19(17-10)7-11(20)18-5-1-4-16-18/h1,4-6,8H,2-3,7H2.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone has a molecular weight of 284.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylethanone is sourced from PubChem (CID 4767898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).