5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one

C18H15F2N3O — CID 68680239

IUPAC5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one
SMILESO=c1cc(C2CC2)n(Cc2ccccn2)n1-c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O/c19-13-6-7-16(15(20)9-13)23-18(24)10-17(12-4-5-12)22(23)11-14-3-1-2-8-21-14/h1-3,6-10,12H,4-5,11H2
InChIKeyANABZXRJSQXOMU-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.24
Rot. Bonds4

About 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one

5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one (PubChem CID 68680239) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one
PubChem CID68680239
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one
SMILESO=c1cc(C2CC2)n(Cc2ccccn2)n1-c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O/c19-13-6-7-16(15(20)9-13)23-18(24)10-17(12-4-5-12)22(23)11-14-3-1-2-8-21-14/h1-3,6-10,12H,4-5,11H2
InChIKeyANABZXRJSQXOMU-UHFFFAOYSA-N
XLogP3.24
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
1-(2,4-difluorophenyl)-3-[(3R)-1-(pyridin-2-ylmethyl)azepan-3-yl]urea
CID 96578894
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
(6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 70277697
2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
CID 23987423
6-fluoro-1,1-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43440280
4-bromo-5-cyclopropyl-2-(2,4-difluorophenyl)-1-methylpyrazol-3-one
CID 68678836
5-fluoro-1-(pyridin-2-ylmethyl)indole
CID 55257545
(1S,5R)-3-[3-(4-fluorophenyl)prop-2-enyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 91939944
2-[[(3R)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-3-yl]oxymethyl]pyridine
CID 97018220
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111920866
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one (CID 68680239) is 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one is O=c1cc(C2CC2)n(Cc2ccccn2)n1-c1ccc(F)cc1F.
What is the InChIKey of 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one?
The InChIKey is ANABZXRJSQXOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c19-13-6-7-16(15(20)9-13)23-18(24)10-17(12-4-5-12)22(23)11-14-3-1-2-8-21-14/h1-3,6-10,12H,4-5,11H2.
What are the key properties of 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one?
5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one has a molecular weight of 327.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one is sourced from PubChem (CID 68680239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).