6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

C12H12F3N3O — CID 106515969

IUPAC6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCCn1cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cn1
InChIInChI=1S/C12H12F3N3O/c1-2-3-18-7-8(6-16-18)10-4-9(12(13,14)15)5-11(19)17-10/h4-7H,2-3H2,1H3,(H,17,19)
InChIKeyCYFBQOUVSISOKK-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.67
Rot. Bonds3

About 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106515969) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106515969
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCCn1cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cn1
InChIInChI=1S/C12H12F3N3O/c1-2-3-18-7-8(6-16-18)10-4-9(12(13,14)15)5-11(19)17-10/h4-7H,2-3H2,1H3,(H,17,19)
InChIKeyCYFBQOUVSISOKK-UHFFFAOYSA-N
XLogP2.67
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72886307
1-[(E)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138669591
2-(1,1-difluoropropyl)-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
CID 144318119
2-(1,1-difluoropropyl)-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
CID 144318234
CID 144700355
CID 144700355
3-(Ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
CID 148554896
4-[1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 166701367
5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
CID 172713031
4-methyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,7-dihydro-1H-1,4-diazepin-3-one
CID 176056312
5-[1-(difluoromethyl)pyrazol-4-yl]-4-methyl-2,7-dihydro-1H-1,4-diazepin-3-one
CID 176056327
(Z)-1-[1-(2,2-difluoroethyl)pyrazol-4-yl]but-1-en-1-amine
CID 177316698
(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 60714255

Frequently Asked Questions

What is the IUPAC name of 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106515969) is 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is CCCn1cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cn1.
What is the InChIKey of 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is CYFBQOUVSISOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-3-18-7-8(6-16-18)10-4-9(12(13,14)15)5-11(19)17-10/h4-7H,2-3H2,1H3,(H,17,19).
What are the key properties of 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 271.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106515969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).