ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane

C25H33FN4O — CID 162740263

IUPACethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane
SMILESCC.CCC.Cc1ccc(CC2CCN(c3n[nH]c(-c4ccncc4)c3F)C2=O)cc1
InChIInChI=1S/C20H19FN4O.C3H8.C2H6/c1-13-2-4-14(5-3-13)12-16-8-11-25(20(16)26)19-17(21)18(23-24-19)15-6-9-22-10-7-15;1-3-2;1-2/h2-7,9-10,16H,8,11-12H2,1H3,(H,23,24);3H2,1-2H3;1-2H3
InChIKeyWELKFHVIQPRQOA-UHFFFAOYSA-N
MW424.56 g/mol
LogP5.96
Rot. Bonds4

About ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane

ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane (PubChem CID 162740263) has the molecular formula C25H33FN4O and a molecular weight of 424.56 g/mol. Its IUPAC name is ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane.

Molecular Properties

Compound Nameethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane
PubChem CID162740263
Molecular FormulaC25H33FN4O
Molecular Weight424.56 g/mol
Exact Mass424.26
IUPAC Nameethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane
SMILESCC.CCC.Cc1ccc(CC2CCN(c3n[nH]c(-c4ccncc4)c3F)C2=O)cc1
InChIInChI=1S/C20H19FN4O.C3H8.C2H6/c1-13-2-4-14(5-3-13)12-16-8-11-25(20(16)26)19-17(21)18(23-24-19)15-6-9-22-10-7-15;1-3-2;1-2/h2-7,9-10,16H,8,11-12H2,1H3,(H,23,24);3H2,1-2H3;1-2H3
InChIKeyWELKFHVIQPRQOA-UHFFFAOYSA-N
XLogP5.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.56
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784501
(3S)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 162784395
3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162784460
(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one
CID 162784343
(3S)-3-[(6-chloro-3-pyridinyl)methyl]-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784442
1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162740248
(3R)-3-[(3-fluoro-4-isocyanophenyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one;(3S)-3-[(3-fluoro-4-isocyanophenyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one;3-[(3-fluoro-4-isocyanophenyl)methyl]-1-[4-fluoro-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]piperidin-2-one
CID 163574210
3-[(4-fluoro-3-isocyanophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162784463
3-[(4-chloro-3-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162784404
4-[[2-oxo-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]methyl]benzonitrile
CID 162784457
(3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784547
(3S)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(6-pyridin-4-yl-3-pyridinyl)pyrrolidin-2-one
CID 177188686

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane?
The IUPAC name of ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane (CID 162740263) is ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane.
What is the SMILES notation for ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane?
The canonical SMILES for ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane is CC.CCC.Cc1ccc(CC2CCN(c3n[nH]c(-c4ccncc4)c3F)C2=O)cc1.
What is the InChIKey of ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane?
The InChIKey is WELKFHVIQPRQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O.C3H8.C2H6/c1-13-2-4-14(5-3-13)12-16-8-11-25(20(16)26)19-17(21)18(23-24-19)15-6-9-22-10-7-15;1-3-2;1-2/h2-7,9-10,16H,8,11-12H2,1H3,(H,23,24);3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane?
ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane has a molecular weight of 424.56 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane is sourced from PubChem (CID 162740263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).