5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide

C17H24N4O3 — CID 154508668

IUPAC5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide
SMILESCOc1ccccc1C1=NN(C(N)=NOC2CCCCO2)CC1C
InChIInChI=1S/C17H24N4O3/c1-12-11-21(17(18)20-24-15-9-5-6-10-23-15)19-16(12)13-7-3-4-8-14(13)22-2/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H2,18,20)
InChIKeySBDIYZFACXKKAI-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.12
Rot. Bonds4

About 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide

5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 154508668) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide
PubChem CID154508668
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide
SMILESCOc1ccccc1C1=NN(C(N)=NOC2CCCCO2)CC1C
InChIInChI=1S/C17H24N4O3/c1-12-11-21(17(18)20-24-15-9-5-6-10-23-15)19-16(12)13-7-3-4-8-14(13)22-2/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H2,18,20)
InChIKeySBDIYZFACXKKAI-UHFFFAOYSA-N
XLogP2.12
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine
CID 158946335
[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 22605742
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
5-(3-chloro-2-methoxyphenyl)-N'-hexyl-4-methyl-3,4-dihydropyrazole-2-carboximidamide
CID 134562354
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140971142
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
3-[2-(oxan-2-yloxy)phenyl]benzamide
CID 139985534
[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 110391727
but-3-en-2-yl (E)-N-(oxan-2-yloxy)benzenecarboximidate
CID 11076663
(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide
CID 59421110

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide (CID 154508668) is 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide is COc1ccccc1C1=NN(C(N)=NOC2CCCCO2)CC1C.
What is the InChIKey of 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is SBDIYZFACXKKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-11-21(17(18)20-24-15-9-5-6-10-23-15)19-16(12)13-7-3-4-8-14(13)22-2/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H2,18,20).
What are the key properties of 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide?
5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 332.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 154508668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).