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

C15H15Cl3N4O — CID 6464729

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H15Cl3N4O/c1-20-14(13(18)9-19-20)15(23)22-6-4-21(5-7-22)10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyHJZFLWXZAVYJJO-UHFFFAOYSA-N
MW373.67 g/mol
LogP3.34
Rot. Bonds2

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

(4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone (PubChem CID 6464729) has the molecular formula C15H15Cl3N4O and a molecular weight of 373.67 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
PubChem CID6464729
Molecular FormulaC15H15Cl3N4O
Molecular Weight373.67 g/mol
Exact Mass372.03
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H15Cl3N4O/c1-20-14(13(18)9-19-20)15(23)22-6-4-21(5-7-22)10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyHJZFLWXZAVYJJO-UHFFFAOYSA-N
XLogP3.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.67
LogP ≤ 53.34
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-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone (CID 6464729) is (4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone is Cn1ncc(Cl)c1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The InChIKey is HJZFLWXZAVYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N4O/c1-20-14(13(18)9-19-20)15(23)22-6-4-21(5-7-22)10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone has a molecular weight of 373.67 g/mol, XLogP of 3.34, 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-(3,4-dichlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 6464729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).