(3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one

C20H20ClN5O — CID 162784388

IUPAC(3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one
SMILESCN1CCN(c2cc(-c3ccncc3)[nH]n2)C(=O)[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O/c1-25-10-11-26(19-13-17(23-24-19)15-6-8-22-9-7-15)20(27)18(25)12-14-2-4-16(21)5-3-14/h2-9,13,18H,10-12H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyCNJSXWVGJCIIFG-GOSISDBHSA-N
MW381.87 g/mol
LogP3.01
Rot. Bonds4

About (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one

(3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one (PubChem CID 162784388) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one
PubChem CID162784388
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name(3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one
SMILESCN1CCN(c2cc(-c3ccncc3)[nH]n2)C(=O)[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O/c1-25-10-11-26(19-13-17(23-24-19)15-6-8-22-9-7-15)20(27)18(25)12-14-2-4-16(21)5-3-14/h2-9,13,18H,10-12H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyCNJSXWVGJCIIFG-GOSISDBHSA-N
XLogP3.01
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-3-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162784404
(3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784547
3-[(4-chloro-3-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784385
4-[[2-oxo-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]methyl]benzonitrile
CID 162784457
(3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)azepan-2-one
CID 162784532
3-[(4-fluoro-3-isocyanophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162784463
2-fluoro-5-[[(3S)-2-oxo-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]methyl]benzonitrile
CID 162784475
(3R)-3-[(3-fluoro-4-isocyanophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784495
(3S)-3-[(3-fluoro-4-isocyanophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784441
2-fluoro-4-[[(3R)-2-oxo-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]methyl]benzonitrile
CID 162784490
4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
CID 53181025
3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
CID 162784483

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one?
The IUPAC name of (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one (CID 162784388) is (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one.
What is the SMILES notation for (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one?
The canonical SMILES for (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one is CN1CCN(c2cc(-c3ccncc3)[nH]n2)C(=O)[C@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one?
The InChIKey is CNJSXWVGJCIIFG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-25-10-11-26(19-13-17(23-24-19)15-6-8-22-9-7-15)20(27)18(25)12-14-2-4-16(21)5-3-14/h2-9,13,18H,10-12H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one?
(3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one has a molecular weight of 381.87 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-chlorophenyl)methyl]-4-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazin-2-one is sourced from PubChem (CID 162784388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).