1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole

C11H15F3N2O — CID 134605958

IUPAC1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole
SMILESCC(C)n1ccc(OCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N2O/c1-8(2)16-6-3-9(15-16)17-7-10(4-5-10)11(12,13)14/h3,6,8H,4-5,7H2,1-2H3
InChIKeyNDMLZUFFXTXDNU-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.19
Rot. Bonds4

About 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole

1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole (PubChem CID 134605958) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole
PubChem CID134605958
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole
SMILESCC(C)n1ccc(OCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N2O/c1-8(2)16-6-3-9(15-16)17-7-10(4-5-10)11(12,13)14/h3,6,8H,4-5,7H2,1-2H3
InChIKeyNDMLZUFFXTXDNU-UHFFFAOYSA-N
XLogP3.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole?
The IUPAC name of 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole (CID 134605958) is 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole.
What is the SMILES notation for 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole?
The canonical SMILES for 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole is CC(C)n1ccc(OCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole?
The InChIKey is NDMLZUFFXTXDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8(2)16-6-3-9(15-16)17-7-10(4-5-10)11(12,13)14/h3,6,8H,4-5,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole?
1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole has a molecular weight of 248.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole is sourced from PubChem (CID 134605958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).