2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one

C7H9F3N2O — CID 10058449

IUPAC2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one
SMILESCCCn1[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-3-12-5(7(8,9)10)4-6(13)11-12/h4H,2-3H2,1H3,(H,11,13)
InChIKeyZHBJUBXAPQMIMF-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.61
Rot. Bonds2

About 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one

2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one (PubChem CID 10058449) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one
PubChem CID10058449
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one
SMILESCCCn1[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-3-12-5(7(8,9)10)4-6(13)11-12/h4H,2-3H2,1H3,(H,11,13)
InChIKeyZHBJUBXAPQMIMF-UHFFFAOYSA-N
XLogP1.61
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The IUPAC name of 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one (CID 10058449) is 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one is CCCn1[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The InChIKey is ZHBJUBXAPQMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-3-12-5(7(8,9)10)4-6(13)11-12/h4H,2-3H2,1H3,(H,11,13).
What are the key properties of 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one has a molecular weight of 194.16 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(trifluoromethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 10058449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).