3-propoxy-5-(trifluoromethyl)-1H-pyrazole

C7H9F3N2O — CID 162536128

IUPAC3-propoxy-5-(trifluoromethyl)-1H-pyrazole
SMILESCCCOc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H9F3N2O/c1-2-3-13-6-4-5(11-12-6)7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyWSDGYZYGDACWNC-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.22
Rot. Bonds3

About 3-propoxy-5-(trifluoromethyl)-1H-pyrazole

3-propoxy-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 162536128) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-propoxy-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-propoxy-5-(trifluoromethyl)-1H-pyrazole
PubChem CID162536128
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3-propoxy-5-(trifluoromethyl)-1H-pyrazole
SMILESCCCOc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H9F3N2O/c1-2-3-13-6-4-5(11-12-6)7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyWSDGYZYGDACWNC-UHFFFAOYSA-N
XLogP2.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethoxy-3-methyl-1H-pyrazole
CID 316286
3-Methoxy-5-methyl-1H-pyrazole
CID 3790357
5-(Trifluoromethyl)-3-[3-(dimethylamino)propoxy]-1H-pyrazole
CID 10198605
5-methoxy-3-(trifluoromethyl)-1H-pyrazole
CID 91245360
3-Ethoxy-5-(trifluoromethyl)-1h-pyrazole
CID 12086301
3-Ethoxy-5-(trifluoromethyl)-4-iodo-1H-pyrazole
CID 68572542
3-ethoxy-4-fluoro-5-methyl-1H-pyrazole
CID 68572579
3-Isopropoxy-5-methylpyrazole
CID 68571901
3-[(3-methyl-1H-pyrazol-5-yl)oxy]propan-1-amine dihydrochloride
CID 137971678
4-Iodo-3-isopropoxy-5-methylpyrazole
CID 68572666
3-ethoxy-4-iodo-5-methyl-1H-pyrazole
CID 101540300
3-ethoxy-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
CID 12086303

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-propoxy-5-(trifluoromethyl)-1H-pyrazole (CID 162536128) is 3-propoxy-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-propoxy-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-propoxy-5-(trifluoromethyl)-1H-pyrazole is CCCOc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 3-propoxy-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is WSDGYZYGDACWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-3-13-6-4-5(11-12-6)7(8,9)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-propoxy-5-(trifluoromethyl)-1H-pyrazole?
3-propoxy-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 194.16 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 162536128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).