4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one

C19H25ClN4O — CID 56915431

IUPAC4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCCc1nn(C)c(Cl)c1CN1CCN(Cc2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C19H25ClN4O/c1-4-17-16(19(20)22(3)21-17)12-23-9-10-24(18(25)13-23)11-15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3
InChIKeyKORTWYHEJUACFZ-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.79
Rot. Bonds5

About 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one

4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one (PubChem CID 56915431) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
PubChem CID56915431
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCCc1nn(C)c(Cl)c1CN1CCN(Cc2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C19H25ClN4O/c1-4-17-16(19(20)22(3)21-17)12-23-9-10-24(18(25)13-23)11-15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3
InChIKeyKORTWYHEJUACFZ-UHFFFAOYSA-N
XLogP2.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 77097247
2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 86895377
4-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 50980524
4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56740560
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
(3S,4S)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 133125735
5-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56720275
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
4-[(4-methylphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 26336928
2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine
CID 91836527
6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine
CID 133301841
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one (CID 56915431) is 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one is CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccc(C)cc2)C(=O)C1.
What is the InChIKey of 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one?
The InChIKey is KORTWYHEJUACFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-4-17-16(19(20)22(3)21-17)12-23-9-10-24(18(25)13-23)11-15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one?
4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one has a molecular weight of 360.89 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 56915431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).