1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine

C14H17N3O — CID 58282933

IUPAC1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine
SMILES[H]/N=C(\C)Cc1cc(-c2ccccc2OCC)n[nH]1
InChIInChI=1S/C14H17N3O/c1-3-18-14-7-5-4-6-12(14)13-9-11(16-17-13)8-10(2)15/h4-7,9,15H,3,8H2,1-2H3,(H,16,17)/b15-10+
InChIKeyCQORFCQVCVBVOU-XNTDXEJSSA-N
MW243.31 g/mol
LogP3.06
Rot. Bonds5

About 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine

1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine (PubChem CID 58282933) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine
PubChem CID58282933
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine
SMILES[H]/N=C(\C)Cc1cc(-c2ccccc2OCC)n[nH]1
InChIInChI=1S/C14H17N3O/c1-3-18-14-7-5-4-6-12(14)13-9-11(16-17-13)8-10(2)15/h4-7,9,15H,3,8H2,1-2H3,(H,16,17)/b15-10+
InChIKeyCQORFCQVCVBVOU-XNTDXEJSSA-N
XLogP3.06
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-ylideneamino] 4-methylbenzenesulfonate
CID 58282947
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 54847198
5-azido-3-(2-ethoxyphenyl)-1H-pyrazole
CID 136926399
N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847351
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
CID 56796065
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408
3-(2-ethoxyphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6864976
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
3-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128639
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine?
The IUPAC name of 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine (CID 58282933) is 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine.
What is the SMILES notation for 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine?
The canonical SMILES for 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine is [H]/N=C(\C)Cc1cc(-c2ccccc2OCC)n[nH]1.
What is the InChIKey of 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine?
The InChIKey is CQORFCQVCVBVOU-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-18-14-7-5-4-6-12(14)13-9-11(16-17-13)8-10(2)15/h4-7,9,15H,3,8H2,1-2H3,(H,16,17)/b15-10+.
What are the key properties of 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine?
1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine has a molecular weight of 243.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine is sourced from PubChem (CID 58282933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).