2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C21H26ClN5O3 — CID 78852489

IUPAC2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H26ClN5O3/c1-16-19(14-23-27(16)18-4-2-3-17(22)13-18)21(29)26-7-5-24(6-8-26)15-20(28)25-9-11-30-12-10-25/h2-4,13-14H,5-12,15H2,1H3
InChIKeyZJAODYNKVKHGJA-UHFFFAOYSA-N
MW431.92 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 78852489) has the molecular formula C21H26ClN5O3 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID78852489
Molecular FormulaC21H26ClN5O3
Molecular Weight431.92 g/mol
Exact Mass431.17
IUPAC Name2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H26ClN5O3/c1-16-19(14-23-27(16)18-4-2-3-17(22)13-18)21(29)26-7-5-24(6-8-26)15-20(28)25-9-11-30-12-10-25/h2-4,13-14H,5-12,15H2,1H3
InChIKeyZJAODYNKVKHGJA-UHFFFAOYSA-N
XLogP1.45
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55581996
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 31901098
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31852143
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958922
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methanone;hydrochloride
CID 120807474
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 37209594
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methanone
CID 46589786
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149
2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30837385

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 78852489) is 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone is Cc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is ZJAODYNKVKHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O3/c1-16-19(14-23-27(16)18-4-2-3-17(22)13-18)21(29)26-7-5-24(6-8-26)15-20(28)25-9-11-30-12-10-25/h2-4,13-14H,5-12,15H2,1H3.
What are the key properties of 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 431.92 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 78852489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).