1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one

C10H15N3O — CID 91284386

IUPAC1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one
SMILES[H]/N=C(\C)CC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C10H15N3O/c1-7(11)4-10(14)6-13-9(3)5-8(2)12-13/h5,11H,4,6H2,1-3H3/b11-7+
InChIKeyARHJHCGZUVSPAV-YRNVUSSQSA-N
MW193.25 g/mol
LogP1.50
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one

1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one (PubChem CID 91284386) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one
PubChem CID91284386
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one
SMILES[H]/N=C(\C)CC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C10H15N3O/c1-7(11)4-10(14)6-13-9(3)5-8(2)12-13/h5,11H,4,6H2,1-3H3/b11-7+
InChIKeyARHJHCGZUVSPAV-YRNVUSSQSA-N
XLogP1.50
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 113462775
1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole
CID 106440153
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one (CID 91284386) is 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one is [H]/N=C(\C)CC(=O)Cn1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one?
The InChIKey is ARHJHCGZUVSPAV-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(11)4-10(14)6-13-9(3)5-8(2)12-13/h5,11H,4,6H2,1-3H3/b11-7+.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one?
1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one is sourced from PubChem (CID 91284386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).