5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole

C10H13F3N2O — CID 134393587

IUPAC5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole
SMILESCC(COc1ccn[nH]1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O/c1-7(6-16-8-2-5-14-15-8)9(3-4-9)10(11,12)13/h2,5,7H,3-4,6H2,1H3,(H,14,15)
InChIKeyQHEGRSUGVQGYGN-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.77
Rot. Bonds4

About 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole

5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole (PubChem CID 134393587) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole
PubChem CID134393587
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole
SMILESCC(COc1ccn[nH]1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O/c1-7(6-16-8-2-5-14-15-8)9(3-4-9)10(11,12)13/h2,5,7H,3-4,6H2,1H3,(H,14,15)
InChIKeyQHEGRSUGVQGYGN-UHFFFAOYSA-N
XLogP2.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 134587385
CID 134587385
CID 134399319
CID 134399319
CID 134587396
CID 134587396
CID 134393460
CID 134393460
CID 134393500
CID 134393500
CID 134393570
CID 134393570
CID 134393651
CID 134393651
CID 134393671
CID 134393671
CID 134398526
CID 134398526
CID 134398534
CID 134398534
CID 134398543
CID 134398543
CID 134398548
CID 134398548

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole?
The IUPAC name of 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole (CID 134393587) is 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole.
What is the SMILES notation for 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole?
The canonical SMILES for 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole is CC(COc1ccn[nH]1)C1(C(F)(F)F)CC1.
What is the InChIKey of 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole?
The InChIKey is QHEGRSUGVQGYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(6-16-8-2-5-14-15-8)9(3-4-9)10(11,12)13/h2,5,7H,3-4,6H2,1H3,(H,14,15).
What are the key properties of 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole?
5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]-1H-pyrazole is sourced from PubChem (CID 134393587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).