2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide

C15H20N4O — CID 65340092

IUPAC2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cn2nc(C)c(C)c2C)ccc1OC
InChIInChI=1S/C15H20N4O/c1-9-10(2)18-19(11(9)3)8-12-5-6-14(20-4)13(7-12)15(16)17/h5-7H,8H2,1-4H3,(H3,16,17)
InChIKeyQKXFAEXHVFVMRQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.15
Rot. Bonds4

About 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide

2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide (PubChem CID 65340092) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
PubChem CID65340092
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cn2nc(C)c(C)c2C)ccc1OC
InChIInChI=1S/C15H20N4O/c1-9-10(2)18-19(11(9)3)8-12-5-6-14(20-4)13(7-12)15(16)17/h5-7H,8H2,1-4H3,(H3,16,17)
InChIKeyQKXFAEXHVFVMRQ-UHFFFAOYSA-N
XLogP2.15
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61225934
N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 106790205
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791089
5-[(4-iodopyrazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65340287
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
CID 65339469
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65340377
2-methoxy-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 65340286
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 83227573
5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 65339965
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide (CID 65340092) is 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cn2nc(C)c(C)c2C)ccc1OC.
What is the InChIKey of 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide?
The InChIKey is QKXFAEXHVFVMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-10(2)18-19(11(9)3)8-12-5-6-14(20-4)13(7-12)15(16)17/h5-7H,8H2,1-4H3,(H3,16,17).
What are the key properties of 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide?
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide has a molecular weight of 272.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 65340092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).