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

C16H18Cl2N4O — CID 19279143

IUPAC(4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCn1cc(Cl)c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H18Cl2N4O/c1-20-11-14(18)15(19-20)16(23)22-7-5-21(6-8-22)10-12-3-2-4-13(17)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyKXUXESWQTIPAIY-UHFFFAOYSA-N
MW353.25 g/mol
LogP2.68
Rot. Bonds3

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

(4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19279143) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19279143
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCn1cc(Cl)c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H18Cl2N4O/c1-20-11-14(18)15(19-20)16(23)22-7-5-21(6-8-22)10-12-3-2-4-13(17)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyKXUXESWQTIPAIY-UHFFFAOYSA-N
XLogP2.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
(4-chloro-1-methylpyrazol-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279147
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 19479074
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 19473137
1-methyl-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19498274
(4-chloro-1-ethylpyrazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19279313
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531525
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methyl-4-nitropyrazol-3-yl)methanone
CID 19279160
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19323616
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19279143) is (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is Cn1cc(Cl)c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is KXUXESWQTIPAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-20-11-14(18)15(19-20)16(23)22-7-5-21(6-8-22)10-12-3-2-4-13(17)9-12/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
(4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 353.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19279143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).