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

C12H10F3N3O — CID 66021881

IUPAC5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-3-4-10(16-6-8)18-11(19)5-9(17-18)7-1-2-7/h3-7,17H,1-2H2
InChIKeyDXXIBROIBWANFD-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.46
Rot. Bonds2

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

5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one (PubChem CID 66021881) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
PubChem CID66021881
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-3-4-10(16-6-8)18-11(19)5-9(17-18)7-1-2-7/h3-7,17H,1-2H2
InChIKeyDXXIBROIBWANFD-UHFFFAOYSA-N
XLogP2.46
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
5-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-thione
CID 81254656
2-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83196456
8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride
CID 67234325
(4aR,8aR)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 100689550
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
CID 95590464
2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine
CID 63353595
3-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine
CID 83205345
5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
CID 61389260
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one (CID 66021881) is 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one is O=c1cc(C2CC2)[nH]n1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The InChIKey is DXXIBROIBWANFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)8-3-4-10(16-6-8)18-11(19)5-9(17-18)7-1-2-7/h3-7,17H,1-2H2.
What are the key properties of 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one has a molecular weight of 269.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one is sourced from PubChem (CID 66021881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).