2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one

C18H22Cl2N4O — CID 19536444

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nn(C(C)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1Cl
InChIInChI=1S/C18H22Cl2N4O/c1-13-17(20)12-24(21-13)14(2)18(25)23-9-7-22(8-10-23)11-15-3-5-16(19)6-4-15/h3-6,12,14H,7-11H2,1-2H3
InChIKeyROTSUJIWJZAXRG-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.40
Rot. Bonds4

About 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one

2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 19536444) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID19536444
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nn(C(C)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1Cl
InChIInChI=1S/C18H22Cl2N4O/c1-13-17(20)12-24(21-13)14(2)18(25)23-9-7-22(8-10-23)11-15-3-5-16(19)6-4-15/h3-6,12,14H,7-11H2,1-2H3
InChIKeyROTSUJIWJZAXRG-UHFFFAOYSA-N
XLogP3.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536441
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536443
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one
CID 19536109
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
CID 19536370
1-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
CID 19536375
1-[1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506225
(2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 95895449
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one;dihydrochloride
CID 119838966
[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 112764706
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478103
ethyl 4-[2-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19447672
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119838984

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one (CID 19536444) is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one is Cc1nn(C(C)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is ROTSUJIWJZAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-13-17(20)12-24(21-13)14(2)18(25)23-9-7-22(8-10-23)11-15-3-5-16(19)6-4-15/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 381.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 19536444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).