1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole

C9H11F3N2O — CID 134399432

IUPAC1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole
SMILESCn1ccc(OCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H11F3N2O/c1-14-5-2-7(13-14)15-6-8(3-4-8)9(10,11)12/h2,5H,3-4,6H2,1H3
InChIKeyPIKMSVJGQIJZKJ-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.14
Rot. Bonds3

About 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole

1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole (PubChem CID 134399432) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole
PubChem CID134399432
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole
SMILESCn1ccc(OCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H11F3N2O/c1-14-5-2-7(13-14)15-6-8(3-4-8)9(10,11)12/h2,5H,3-4,6H2,1H3
InChIKeyPIKMSVJGQIJZKJ-UHFFFAOYSA-N
XLogP2.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole?
The IUPAC name of 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole (CID 134399432) is 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole.
What is the SMILES notation for 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole?
The canonical SMILES for 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole is Cn1ccc(OCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole?
The InChIKey is PIKMSVJGQIJZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-14-5-2-7(13-14)15-6-8(3-4-8)9(10,11)12/h2,5H,3-4,6H2,1H3.
What are the key properties of 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole?
1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole is sourced from PubChem (CID 134399432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).