(4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C15H16Cl2N4O — CID 716928

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H16Cl2N4O/c1-19-14(13(17)10-18-19)15(22)21-7-5-20(6-8-21)12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3
InChIKeySLDAHZHCBUHIPX-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.69
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 716928) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID716928
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H16Cl2N4O/c1-19-14(13(17)10-18-19)15(22)21-7-5-20(6-8-21)12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3
InChIKeySLDAHZHCBUHIPX-UHFFFAOYSA-N
XLogP2.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 716928) is (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is Cn1ncc(Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is SLDAHZHCBUHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-19-14(13(17)10-18-19)15(22)21-7-5-20(6-8-21)12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 339.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 716928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).