5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole

C7H7F3N2O — CID 134398548

IUPAC5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole
SMILESFC(F)(F)[C@H]1C[C@@H]1Oc1ccn[nH]1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-3-5(4)13-6-1-2-11-12-6/h1-2,4-5H,3H2,(H,11,12)/t4-,5-/m0/s1
InChIKeySQFHHNMXVXYTSS-WHFBIAKZSA-N
MW192.14 g/mol
LogP1.74
Rot. Bonds2

About 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole

5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole (PubChem CID 134398548) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole.

Molecular Properties

Compound Name5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole
PubChem CID134398548
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole
SMILESFC(F)(F)[C@H]1C[C@@H]1Oc1ccn[nH]1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-3-5(4)13-6-1-2-11-12-6/h1-2,4-5H,3H2,(H,11,12)/t4-,5-/m0/s1
InChIKeySQFHHNMXVXYTSS-WHFBIAKZSA-N
XLogP1.74
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole?
The IUPAC name of 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole (CID 134398548) is 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole.
What is the SMILES notation for 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole?
The canonical SMILES for 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole is FC(F)(F)[C@H]1C[C@@H]1Oc1ccn[nH]1.
What is the InChIKey of 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole?
The InChIKey is SQFHHNMXVXYTSS-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)4-3-5(4)13-6-1-2-11-12-6/h1-2,4-5H,3H2,(H,11,12)/t4-,5-/m0/s1.
What are the key properties of 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole?
5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole has a molecular weight of 192.14 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxy-1H-pyrazole is sourced from PubChem (CID 134398548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).