4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one

C14H19N3O2 — CID 63972233

IUPAC4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
SMILESCOc1ccc(N2N=C(C)C(CCCN)C2=O)cc1
InChIInChI=1S/C14H19N3O2/c1-10-13(4-3-9-15)14(18)17(16-10)11-5-7-12(19-2)8-6-11/h5-8,13H,3-4,9,15H2,1-2H3
InChIKeyDIAYAGHAYAGEBI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.77
Rot. Bonds5

About 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one

4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 63972233) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
PubChem CID63972233
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
SMILESCOc1ccc(N2N=C(C)C(CCCN)C2=O)cc1
InChIInChI=1S/C14H19N3O2/c1-10-13(4-3-9-15)14(18)17(16-10)11-5-7-12(19-2)8-6-11/h5-8,13H,3-4,9,15H2,1-2H3
InChIKeyDIAYAGHAYAGEBI-UHFFFAOYSA-N
XLogP1.77
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one (CID 63972233) is 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one is COc1ccc(N2N=C(C)C(CCCN)C2=O)cc1.
What is the InChIKey of 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is DIAYAGHAYAGEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-13(4-3-9-15)14(18)17(16-10)11-5-7-12(19-2)8-6-11/h5-8,13H,3-4,9,15H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one?
4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 261.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 63972233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).