[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone

C26H25ClN6O2 — CID 71697669

IUPAC[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(c4ccc(C)cc4)CC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C26H25ClN6O2/c1-18-3-9-21(10-4-18)31-13-15-32(16-14-31)26(34)22-17-23(19-5-7-20(27)8-6-19)33(30-22)24-11-12-25(35-2)29-28-24/h3-12,17H,13-16H2,1-2H3
InChIKeyABXVXVMCSNDQIY-UHFFFAOYSA-N
MW488.98 g/mol
LogP4.26
Rot. Bonds5

About [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone

[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone (PubChem CID 71697669) has the molecular formula C26H25ClN6O2 and a molecular weight of 488.98 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
PubChem CID71697669
Molecular FormulaC26H25ClN6O2
Molecular Weight488.98 g/mol
Exact Mass488.17
IUPAC Name[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(c4ccc(C)cc4)CC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C26H25ClN6O2/c1-18-3-9-21(10-4-18)31-13-15-32(16-14-31)26(34)22-17-23(19-5-7-20(27)8-6-19)33(30-22)24-11-12-25(35-2)29-28-24/h3-12,17H,13-16H2,1-2H3
InChIKeyABXVXVMCSNDQIY-UHFFFAOYSA-N
XLogP4.26
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone
CID 53006257
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10023598
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110336253
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 99744862
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 10406457
[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 11675293
methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 69380330

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone (CID 71697669) is [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone is COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(C)cc4)CC3)cc2-c2ccc(Cl)cc2)nn1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is ABXVXVMCSNDQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O2/c1-18-3-9-21(10-4-18)31-13-15-32(16-14-31)26(34)22-17-23(19-5-7-20(27)8-6-19)33(30-22)24-11-12-25(35-2)29-28-24/h3-12,17H,13-16H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 488.98 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71697669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).