5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole

C8H9F3N2O — CID 134393500

IUPAC5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole
SMILESFC(F)(F)C1(COc2ccn[nH]2)CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(2-3-7)5-14-6-1-4-12-13-6/h1,4H,2-3,5H2,(H,12,13)
InChIKeyMTONIVRNPQJYBC-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.13
Rot. Bonds3

About 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole

5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole (PubChem CID 134393500) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole
PubChem CID134393500
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole
SMILESFC(F)(F)C1(COc2ccn[nH]2)CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(2-3-7)5-14-6-1-4-12-13-6/h1,4H,2-3,5H2,(H,12,13)
InChIKeyMTONIVRNPQJYBC-UHFFFAOYSA-N
XLogP2.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole (CID 134393500) is 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole is FC(F)(F)C1(COc2ccn[nH]2)CC1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole?
The InChIKey is MTONIVRNPQJYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7(2-3-7)5-14-6-1-4-12-13-6/h1,4H,2-3,5H2,(H,12,13).
What are the key properties of 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole?
5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole has a molecular weight of 206.17 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-1H-pyrazole is sourced from PubChem (CID 134393500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).