(2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C20H18Cl2N4O — CID 75527212

IUPAC(2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C20H18Cl2N4O/c21-15-6-7-16(17(22)12-15)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyRTTZNNLMGCJXIW-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.35
Rot. Bonds3

About (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 75527212) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID75527212
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name(2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C20H18Cl2N4O/c21-15-6-7-16(17(22)12-15)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyRTTZNNLMGCJXIW-UHFFFAOYSA-N
XLogP4.35
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-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 (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 75527212) is (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is RTTZNNLMGCJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c21-15-6-7-16(17(22)12-15)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,24).
What are the key properties of (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 401.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75527212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).