4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one

C7H13N3O — CID 28743052

IUPAC4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CCCN
InChIInChI=1S/C7H13N3O/c1-5-6(3-2-4-8)7(11)10-9-5/h2-4,8H2,1H3,(H2,9,10,11)
InChIKeySAVKVJYSEXVOBY-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.10
Rot. Bonds3

About 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one

4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 28743052) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID28743052
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CCCN
InChIInChI=1S/C7H13N3O/c1-5-6(3-2-4-8)7(11)10-9-5/h2-4,8H2,1H3,(H2,9,10,11)
InChIKeySAVKVJYSEXVOBY-UHFFFAOYSA-N
XLogP-0.10
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Aminoethyl)-5-methyl-1H-pyrazol-3(2H)-one
CID 4715331
4-(2-aminoethyl)-5-tert-butyl-1,2-dihydro-3H-pyrazol-3-one
CID 4715337
4-(2-Aminoethyl)-5-isopropyl-1,2-dihydro-3H-pyrazol-3-one
CID 17390073
4-(2-aminoethyl)-5-ethyl-1,2-dihydro-3H-pyrazol-3-one
CID 17390074
4-[3-(Methylamino)propyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 15205457
2,3-dimethyl-4-propyl-1H-pyrazol-5-one
CID 139597195
4-Butyl-5-methylpyrazalone
CID 574166
5-Methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
CID 4912909
4-Propyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 142823030
4-ethyl-3-methyl-1H-pyrazol-5-ol
CID 4285010
3-(3-Methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanenitrile
CID 28743050
4-Methyl-5-propyl-1,2-dihydropyrazol-3-one
CID 44160704

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one (CID 28743052) is 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is SAVKVJYSEXVOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(3-2-4-8)7(11)10-9-5/h2-4,8H2,1H3,(H2,9,10,11).
What are the key properties of 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one?
4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 155.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 28743052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).