1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one

C20H21N5O — CID 75514982

IUPAC1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
SMILESCn1cc(N2CCN(Cc3cccc(-c4ccccn4)c3)CC2=O)cn1
InChIInChI=1S/C20H21N5O/c1-23-14-18(12-22-23)25-10-9-24(15-20(25)26)13-16-5-4-6-17(11-16)19-7-2-3-8-21-19/h2-8,11-12,14H,9-10,13,15H2,1H3
InChIKeyZLCYTZBLNXUGEP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.33
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one (PubChem CID 75514982) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
PubChem CID75514982
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
SMILESCn1cc(N2CCN(Cc3cccc(-c4ccccn4)c3)CC2=O)cn1
InChIInChI=1S/C20H21N5O/c1-23-14-18(12-22-23)25-10-9-24(15-20(25)26)13-16-5-4-6-17(11-16)19-7-2-3-8-21-19/h2-8,11-12,14H,9-10,13,15H2,1H3
InChIKeyZLCYTZBLNXUGEP-UHFFFAOYSA-N
XLogP2.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one (CID 75514982) is 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one is Cn1cc(N2CCN(Cc3cccc(-c4ccccn4)c3)CC2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one?
The InChIKey is ZLCYTZBLNXUGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-23-14-18(12-22-23)25-10-9-24(15-20(25)26)13-16-5-4-6-17(11-16)19-7-2-3-8-21-19/h2-8,11-12,14H,9-10,13,15H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one has a molecular weight of 347.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 75514982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).