1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone

C21H20ClN5O2 — CID 56521395

IUPAC1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C21H20ClN5O2/c22-17-6-1-2-7-19(17)27-10-8-18(24-27)21(29)26-13-11-25(12-14-26)20(28)15-16-5-3-4-9-23-16/h1-10H,11-15H2
InChIKeyMABRMFYNADAMEW-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.45
Rot. Bonds4

About 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 56521395) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID56521395
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C21H20ClN5O2/c22-17-6-1-2-7-19(17)27-10-8-18(24-27)21(29)26-13-11-25(12-14-26)20(28)15-16-5-3-4-9-23-16/h1-10H,11-15H2
InChIKeyMABRMFYNADAMEW-UHFFFAOYSA-N
XLogP2.45
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522290
[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
CID 126770991
[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 154762709
1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520747
2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 146091114
1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
CID 51134010
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
1-[4-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521519
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520625
1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55809909
2-(3,4-dichlorophenoxy)-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 56521781

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone (CID 56521395) is 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is MABRMFYNADAMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-17-6-1-2-7-19(17)27-10-8-18(24-27)21(29)26-13-11-25(12-14-26)20(28)15-16-5-3-4-9-23-16/h1-10H,11-15H2.
What are the key properties of 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 409.88 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 56521395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).