4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one

C23H25N3O2 — CID 135747436

IUPAC4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1/C=N/C1Cc2ccccc2C1
InChIInChI=1S/C23H25N3O2/c1-3-6-22-21(15-24-18-13-16-7-4-5-8-17(16)14-18)23(27)26(25-22)19-9-11-20(28-2)12-10-19/h4-5,7-12,15,18,25H,3,6,13-14H2,1-2H3/b24-15+
InChIKeyKRHVHBUYHUYYNA-BUVRLJJBSA-N
MW375.47 g/mol
LogP3.71
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one

4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one (PubChem CID 135747436) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one
PubChem CID135747436
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1/C=N/C1Cc2ccccc2C1
InChIInChI=1S/C23H25N3O2/c1-3-6-22-21(15-24-18-13-16-7-4-5-8-17(16)14-18)23(27)26(25-22)19-9-11-20(28-2)12-10-19/h4-5,7-12,15,18,25H,3,6,13-14H2,1-2H3/b24-15+
InChIKeyKRHVHBUYHUYYNA-BUVRLJJBSA-N
XLogP3.71
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 135747434
2-(4-methoxyphenyl)-4-[[2-(4-methoxyphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-phenylmethyl]-5-propyl-1H-pyrazol-3-one
CID 134695279
4-(N-cyclohexyl-C-methylcarbonimidoyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one
CID 135727812
4-(cyclopropyliminomethyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one
CID 2928630
2-(4-fluorophenyl)-4-(3-phenylpropyliminomethyl)-5-propyl-1H-pyrazol-3-one
CID 135643681
4-[N-(2-ethoxyphenyl)-C-methylcarbonimidoyl]-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one
CID 135624632
4-[N-[2-(2-methoxyphenoxy)ethyl]-C-methylcarbonimidoyl]-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one
CID 135727959
4-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-2-(4-fluorophenyl)-5-propyl-1H-pyrazol-3-one
CID 5164685
2-(4-methoxyphenyl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-5-propyl-1H-pyrazol-3-one
CID 135624630
2-(4-fluorophenyl)-4-[N-[(4-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-5-propyl-1H-pyrazol-3-one
CID 135727824
2-[[2-(4-methoxyphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylideneamino]benzoic acid
CID 170524828
4-[2-[[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]methylideneamino]ethyl]benzenesulfonamide
CID 4222773

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one (CID 135747436) is 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one is CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1/C=N/C1Cc2ccccc2C1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one?
The InChIKey is KRHVHBUYHUYYNA-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-6-22-21(15-24-18-13-16-7-4-5-8-17(16)14-18)23(27)26(25-22)19-9-11-20(28-2)12-10-19/h4-5,7-12,15,18,25H,3,6,13-14H2,1-2H3/b24-15+.
What are the key properties of 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one?
4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one has a molecular weight of 375.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-yliminomethyl)-2-(4-methoxyphenyl)-5-propyl-1H-pyrazol-3-one is sourced from PubChem (CID 135747436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).