[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H20ClN5O — CID 110336253

IUPAC[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCn1nc(C(=O)N2CCN(c3ccccn3)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O/c1-24-18(15-5-7-16(21)8-6-15)14-17(23-24)20(27)26-12-10-25(11-13-26)19-4-2-3-9-22-19/h2-9,14H,10-13H2,1H3
InChIKeyUAJYXJZATCIDRS-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.10
Rot. Bonds3

About [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 110336253) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID110336253
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCn1nc(C(=O)N2CCN(c3ccccn3)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O/c1-24-18(15-5-7-16(21)8-6-15)14-17(23-24)20(27)26-12-10-25(11-13-26)19-4-2-3-9-22-19/h2-9,14H,10-13H2,1H3
InChIKeyUAJYXJZATCIDRS-UHFFFAOYSA-N
XLogP3.10
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
4-[5-(4-chlorophenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336238
(5-amino-1-methylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 82188777
[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110299488
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 99744858
(1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56650707
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53196873
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 68801528
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854869

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 110336253) is [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cn1nc(C(=O)N2CCN(c3ccccn3)CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UAJYXJZATCIDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-24-18(15-5-7-16(21)8-6-15)14-17(23-24)20(27)26-12-10-25(11-13-26)19-4-2-3-9-22-19/h2-9,14H,10-13H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 381.87 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110336253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).