5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide

C12H14N4O — CID 107930884

IUPAC5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cnn(C)c1
InChIInChI=1S/C12H14N4O/c1-8-3-4-11(10(5-8)12(13)14)17-9-6-15-16(2)7-9/h3-7H,1-2H3,(H3,13,14)
InChIKeyKJKAVRDGGGIIFW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.80
Rot. Bonds3

About 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide

5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide (PubChem CID 107930884) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
PubChem CID107930884
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cnn(C)c1
InChIInChI=1S/C12H14N4O/c1-8-3-4-11(10(5-8)12(13)14)17-9-6-15-16(2)7-9/h3-7H,1-2H3,(H3,13,14)
InChIKeyKJKAVRDGGGIIFW-UHFFFAOYSA-N
XLogP1.80
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.80
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

5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
CID 116792854
[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 107926547
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
CID 116792841

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide?
The IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide (CID 107930884) is 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1cnn(C)c1.
What is the InChIKey of 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide?
The InChIKey is KJKAVRDGGGIIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-3-4-11(10(5-8)12(13)14)17-9-6-15-16(2)7-9/h3-7H,1-2H3,(H3,13,14).
What are the key properties of 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide?
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide has a molecular weight of 230.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 107930884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).