1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one

C6H11N3O — CID 23460185

IUPAC1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one
SMILESCCC(=O)N1CCC(N)=N1
InChIInChI=1S/C6H11N3O/c1-2-6(10)9-4-3-5(7)8-9/h2-4H2,1H3,(H2,7,8)
InChIKeyHXQBAJDMRZMMMS-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.10
Rot. Bonds1

About 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one

1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one (PubChem CID 23460185) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one
PubChem CID23460185
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one
SMILESCCC(=O)N1CCC(N)=N1
InChIInChI=1S/C6H11N3O/c1-2-6(10)9-4-3-5(7)8-9/h2-4H2,1H3,(H2,7,8)
InChIKeyHXQBAJDMRZMMMS-UHFFFAOYSA-N
XLogP-0.10
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one?
The IUPAC name of 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one (CID 23460185) is 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one is CCC(=O)N1CCC(N)=N1.
What is the InChIKey of 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one?
The InChIKey is HXQBAJDMRZMMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-6(10)9-4-3-5(7)8-9/h2-4H2,1H3,(H2,7,8).
What are the key properties of 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one?
1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one has a molecular weight of 141.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one is sourced from PubChem (CID 23460185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).