1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine

C14H19N3O — CID 158946335

IUPAC1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine
SMILES[H]/N=C(\CC)N1CC(C)C(c2ccccc2OC)=N1
InChIInChI=1S/C14H19N3O/c1-4-13(15)17-9-10(2)14(16-17)11-7-5-6-8-12(11)18-3/h5-8,10,15H,4,9H2,1-3H3/b15-13+
InChIKeyJKWIHKSRTCPHFP-FYWRMAATSA-N
MW245.33 g/mol
LogP2.74
Rot. Bonds3

About 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine

1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine (PubChem CID 158946335) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine.

Molecular Properties

Compound Name1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine
PubChem CID158946335
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine
SMILES[H]/N=C(\CC)N1CC(C)C(c2ccccc2OC)=N1
InChIInChI=1S/C14H19N3O/c1-4-13(15)17-9-10(2)14(16-17)11-7-5-6-8-12(11)18-3/h5-8,10,15H,4,9H2,1-3H3/b15-13+
InChIKeyJKWIHKSRTCPHFP-FYWRMAATSA-N
XLogP2.74
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 22605742
5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide
CID 154508668
5-(3-chloro-4-fluoro-2-phenylmethoxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboximidamide
CID 171322882
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
5-(3-chloro-2-methoxyphenyl)-N'-hexyl-4-methyl-3,4-dihydropyrazole-2-carboximidamide
CID 134562354
cyclopropyl-(2-methoxyphenyl)methanimine
CID 131860989
2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
CID 82432584
5-(2-methoxyphenyl)-1-methylpyrrole-2,3-diimine
CID 166105355
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
6-(2-methoxyphenyl)pyridine-2-carboximidamide
CID 14281216
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol
CID 95549741

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine?
The IUPAC name of 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine (CID 158946335) is 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine.
What is the SMILES notation for 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine?
The canonical SMILES for 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine is [H]/N=C(\CC)N1CC(C)C(c2ccccc2OC)=N1.
What is the InChIKey of 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine?
The InChIKey is JKWIHKSRTCPHFP-FYWRMAATSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-13(15)17-9-10(2)14(16-17)11-7-5-6-8-12(11)18-3/h5-8,10,15H,4,9H2,1-3H3/b15-13+.
What are the key properties of 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine?
1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine has a molecular weight of 245.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine is sourced from PubChem (CID 158946335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).