1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine

C13H15N3 — CID 59894352

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine
SMILES[H]/N=C(\C)c1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C13H15N3/c1-9-7-10(2)16(15-9)13-6-4-5-12(8-13)11(3)14/h4-8,14H,1-3H3/b14-11+
InChIKeyXKZPFVRKOXGEOF-SDNWHVSQSA-N
MW213.28 g/mol
LogP2.88
Rot. Bonds2

About 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine

1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine (PubChem CID 59894352) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine
PubChem CID59894352
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine
SMILES[H]/N=C(\C)c1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C13H15N3/c1-9-7-10(2)16(15-9)13-6-4-5-12(8-13)11(3)14/h4-8,14H,1-3H3/b14-11+
InChIKeyXKZPFVRKOXGEOF-SDNWHVSQSA-N
XLogP2.88
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 58656859
CID 58656859
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-oxopropanoate
CID 156788382
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 16640536
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)benzamide
CID 72859306
N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 72914025
N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 71707580
3-(3,5-dimethylpyrazol-1-yl)benzaldehyde;hydrochloride
CID 46735947
N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 72875646
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155910477
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919058
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82478484

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine (CID 59894352) is 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine is [H]/N=C(\C)c1cccc(-n2nc(C)cc2C)c1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine?
The InChIKey is XKZPFVRKOXGEOF-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-7-10(2)16(15-9)13-6-4-5-12(8-13)11(3)14/h4-8,14H,1-3H3/b14-11+.
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine?
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine has a molecular weight of 213.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine is sourced from PubChem (CID 59894352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).