2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide

C15H21N5O — CID 65340080

IUPAC2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)Cc2cnn(C)c2)ccc1OC
InChIInChI=1S/C15H21N5O/c1-19(9-12-7-18-20(2)10-12)8-11-4-5-14(21-3)13(6-11)15(16)17/h4-7,10H,8-9H2,1-3H3,(H3,16,17)
InChIKeyCZYFYUHIVIHPHE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.34
Rot. Bonds6

About 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide

2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide (PubChem CID 65340080) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
PubChem CID65340080
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)Cc2cnn(C)c2)ccc1OC
InChIInChI=1S/C15H21N5O/c1-19(9-12-7-18-20(2)10-12)8-11-4-5-14(21-3)13(6-11)15(16)17/h4-7,10H,8-9H2,1-3H3,(H3,16,17)
InChIKeyCZYFYUHIVIHPHE-UHFFFAOYSA-N
XLogP1.34
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65340374
2-methoxy-5-[[methyl(2-methylsulfanylethyl)amino]methyl]benzenecarboximidamide
CID 112660240
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
CID 81056628
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
CID 80513561
5-[(4-iodopyrazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65340287
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
2-methoxy-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 65340286
2-methoxy-5-[[methyl(oxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 82739228

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide (CID 65340080) is 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(CN(C)Cc2cnn(C)c2)ccc1OC.
What is the InChIKey of 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide?
The InChIKey is CZYFYUHIVIHPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(9-12-7-18-20(2)10-12)8-11-4-5-14(21-3)13(6-11)15(16)17/h4-7,10H,8-9H2,1-3H3,(H3,16,17).
What are the key properties of 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide?
2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide has a molecular weight of 287.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 65340080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).