2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide

C11H12N4O — CID 126822232

IUPAC2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2cccn2)cc1OC
InChIInChI=1S/C11H12N4O/c1-16-10-7-8(15-6-2-5-14-15)3-4-9(10)11(12)13/h2-7H,1H3,(H3,12,13)
InChIKeyKTAQWMAIKLWHKM-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.16
Rot. Bonds3

About 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide

2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide (PubChem CID 126822232) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
PubChem CID126822232
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2cccn2)cc1OC
InChIInChI=1S/C11H12N4O/c1-16-10-7-8(15-6-2-5-14-15)3-4-9(10)11(12)13/h2-7H,1H3,(H3,12,13)
InChIKeyKTAQWMAIKLWHKM-UHFFFAOYSA-N
XLogP1.16
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.16
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-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide
CID 144674633
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
2-methoxy-4-[(2-methylimidazol-1-yl)methyl]benzenecarboximidamide
CID 106791074
2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
CID 82240525
4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791090
ethyl 3-pyrazol-1-ylbenzenecarboximidate
CID 175336696
2-(2-methoxy-4-pyrazol-1-ylphenyl)acetonitrile
CID 59343517
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide
CID 68969871

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide?
The IUPAC name of 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide (CID 126822232) is 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2cccn2)cc1OC.
What is the InChIKey of 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide?
The InChIKey is KTAQWMAIKLWHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-10-7-8(15-6-2-5-14-15)3-4-9(10)11(12)13/h2-7H,1H3,(H3,12,13).
What are the key properties of 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide?
2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide has a molecular weight of 216.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide is sourced from PubChem (CID 126822232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).