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[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone

C24H28N6O — CID 122281461

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)n(C)n2)cc1
InChIInChI=1S/C24H28N6O/c1-3-17-7-9-18(10-8-17)21-16-22(28(2)27-21)24(31)30-13-11-29(12-14-30)23-15-19-5-4-6-20(19)25-26-23/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyROSDHBMRKWQPNU-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.89
Rot. Bonds4

About [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 122281461) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID122281461
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)n(C)n2)cc1
InChIInChI=1S/C24H28N6O/c1-3-17-7-9-18(10-8-17)21-16-22(28(2)27-21)24(31)30-13-11-29(12-14-30)23-15-19-5-4-6-20(19)25-26-23/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyROSDHBMRKWQPNU-UHFFFAOYSA-N
XLogP2.89
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone (CID 122281461) is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone is CCc1ccc(-c2cc(C(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)n(C)n2)cc1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is ROSDHBMRKWQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-3-17-7-9-18(10-8-17)21-16-22(28(2)27-21)24(31)30-13-11-29(12-14-30)23-15-19-5-4-6-20(19)25-26-23/h7-10,15-16H,3-6,11-14H2,1-2H3.
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone?
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 122281461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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