[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone

C20H26ClN5O — CID 20918599

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2C2CCNCC2)CC1
InChIInChI=1S/C20H26ClN5O/c1-14-2-3-16(21)12-18(14)25-8-10-26(11-9-25)20(27)17-13-23-24-19(17)15-4-6-22-7-5-15/h2-3,12-13,15,22H,4-11H2,1H3,(H,23,24)
InChIKeyUQAVYCDNTSDVGO-UHFFFAOYSA-N
MW387.92 g/mol
LogP2.80
Rot. Bonds3

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone (PubChem CID 20918599) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone
PubChem CID20918599
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2C2CCNCC2)CC1
InChIInChI=1S/C20H26ClN5O/c1-14-2-3-16(21)12-18(14)25-8-10-26(11-9-25)20(27)17-13-23-24-19(17)15-4-6-22-7-5-15/h2-3,12-13,15,22H,4-11H2,1H3,(H,23,24)
InChIKeyUQAVYCDNTSDVGO-UHFFFAOYSA-N
XLogP2.80
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone (CID 20918599) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone is Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2C2CCNCC2)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is UQAVYCDNTSDVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-14-2-3-16(21)12-18(14)25-8-10-26(11-9-25)20(27)17-13-23-24-19(17)15-4-6-22-7-5-15/h2-3,12-13,15,22H,4-11H2,1H3,(H,23,24).
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 387.92 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 20918599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).