1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one

C10H11F3N2O2 — CID 139389315

IUPAC1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one
SMILESO=C(COc1ccn[nH]1)CC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(2-3-9)5-7(16)6-17-8-1-4-14-15-8/h1,4H,2-3,5-6H2,(H,14,15)
InChIKeyZSZIGQTVRZMDOS-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.09
Rot. Bonds5

About 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one

1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one (PubChem CID 139389315) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one
PubChem CID139389315
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one
SMILESO=C(COc1ccn[nH]1)CC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(2-3-9)5-7(16)6-17-8-1-4-14-15-8/h1,4H,2-3,5-6H2,(H,14,15)
InChIKeyZSZIGQTVRZMDOS-UHFFFAOYSA-N
XLogP2.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(carbon dioxide);4-ethyl-5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
CID 176542897
5-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrazole
CID 141346603
carbon dioxide;5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole
CID 176525435
5-(trifluoromethoxy)-1H-pyrazole
CID 76545932
5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole
CID 134587422
5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151
CID 174155754
CID 174155754
trimethyl(1H-pyrazol-5-yloxymethyl)silane
CID 155784154
1H-pyrazol-5-yl sulfanyl hydrogen phosphate
CID 88718665
tert-butyl N-[4-(1H-pyrazol-5-yloxy)butyl]carbamate
CID 164885813
5-prop-2-ynoxy-1H-pyrazole
CID 139451946
hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium
CID 174865982

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one?
The IUPAC name of 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one (CID 139389315) is 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one.
What is the SMILES notation for 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one?
The canonical SMILES for 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one is O=C(COc1ccn[nH]1)CC1(C(F)(F)F)CC1.
What is the InChIKey of 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one?
The InChIKey is ZSZIGQTVRZMDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)9(2-3-9)5-7(16)6-17-8-1-4-14-15-8/h1,4H,2-3,5-6H2,(H,14,15).
What are the key properties of 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one?
1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one has a molecular weight of 248.20 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yloxy)-3-[1-(trifluoromethyl)cyclopropyl]propan-2-one is sourced from PubChem (CID 139389315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).