4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one

C8H15N3O — CID 82653081

IUPAC4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1CCCN
InChIInChI=1S/C8H15N3O/c1-6-7(4-3-5-9)8(12)11(2)10-6/h10H,3-5,9H2,1-2H3
InChIKeyIRAIUMPQUFCXKX-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.09
Rot. Bonds3

About 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one

4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one (PubChem CID 82653081) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one
PubChem CID82653081
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1CCCN
InChIInChI=1S/C8H15N3O/c1-6-7(4-3-5-9)8(12)11(2)10-6/h10H,3-5,9H2,1-2H3
InChIKeyIRAIUMPQUFCXKX-UHFFFAOYSA-N
XLogP-0.09
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(Methylamino)butyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 11031904
4-[3-(Methylamino)propyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 15205457
2,3-dimethyl-4-propyl-1H-pyrazol-5-one
CID 139597195
2-methyl-4-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 10421000
2-methyl-4-[3-(methylamino)propyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 15205529
2-methyl-4-[4-(methylamino)butyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 15205530
2-methyl-4-propyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 162568368
2,4-dimethyl-5-[2-(methylamino)ethyl]-1H-pyrazol-3-one
CID 18685075
5-(2-aminoethyl)-2,4-dimethyl-1H-pyrazol-3-one
CID 18685141
1,3-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-ol
CID 58125213
2,5-dimethyl-4-propanoyl-1H-pyrazol-3-one
CID 59961900
2,5-dimethyl-4-(2-oxopropyl)-1H-pyrazol-3-one
CID 59961911

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one (CID 82653081) is 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one is Cc1[nH]n(C)c(=O)c1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is IRAIUMPQUFCXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-7(4-3-5-9)8(12)11(2)10-6/h10H,3-5,9H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one?
4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 169.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 82653081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).