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

C12H23N3O — CID 63972248

IUPAC4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one
SMILESCC1=NN(CCC(C)C)C(=O)C1CCCN
InChIInChI=1S/C12H23N3O/c1-9(2)6-8-15-12(16)11(5-4-7-13)10(3)14-15/h9,11H,4-8,13H2,1-3H3
InChIKeyLZBOGYWEOVEFDU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.61
Rot. Bonds6

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

4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one (PubChem CID 63972248) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one
PubChem CID63972248
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one
SMILESCC1=NN(CCC(C)C)C(=O)C1CCCN
InChIInChI=1S/C12H23N3O/c1-9(2)6-8-15-12(16)11(5-4-7-13)10(3)14-15/h9,11H,4-8,13H2,1-3H3
InChIKeyLZBOGYWEOVEFDU-UHFFFAOYSA-N
XLogP1.61
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one
CID 63973008
4-(2-aminoethyl)-5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one
CID 63972249
4-(3-aminopropyl)-5-methyl-2-[(3-methylphenyl)methyl]-4H-pyrazol-3-one
CID 63971852
4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
CID 63972052
4-(3-aminopropyl)-2-(2-fluorophenyl)-5-methyl-4H-pyrazol-3-one
CID 63972425
4-(3-aminopropyl)-5-methyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one
CID 63971266
4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 63972233
4-(3-aminopropyl)-2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 63971655
4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one
CID 81041179
2-(3-methylbutyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 61414670
4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
CID 55167339
4-(2-aminoethyl)-2-[2-(dimethylamino)ethyl]-5-propan-2-yl-4H-pyrazol-3-one
CID 63973403

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one (CID 63972248) is 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one is CC1=NN(CCC(C)C)C(=O)C1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one?
The InChIKey is LZBOGYWEOVEFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)6-8-15-12(16)11(5-4-7-13)10(3)14-15/h9,11H,4-8,13H2,1-3H3.
What are the key properties of 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one?
4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one has a molecular weight of 225.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one is sourced from PubChem (CID 63972248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).