4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide

C12H14N4O — CID 82866842

IUPAC4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccn(C)n2)cc1
InChIInChI=1S/C12H14N4O/c1-16-7-6-10(15-16)8-17-11-4-2-9(3-5-11)12(13)14/h2-7H,8H2,1H3,(H3,13,14)
InChIKeyVCGCFEQEMDSIKM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.28
Rot. Bonds4

About 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide

4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide (PubChem CID 82866842) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
PubChem CID82866842
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccn(C)n2)cc1
InChIInChI=1S/C12H14N4O/c1-16-7-6-10(15-16)8-17-11-4-2-9(3-5-11)12(13)14/h2-7H,8H2,1H3,(H3,13,14)
InChIKeyVCGCFEQEMDSIKM-UHFFFAOYSA-N
XLogP1.28
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.28
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

1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 103567501
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
CID 82866163
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride
CID 82240770
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-octoxybenzenecarboximidamide
CID 3302492
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide (CID 82866842) is 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2ccn(C)n2)cc1.
What is the InChIKey of 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide?
The InChIKey is VCGCFEQEMDSIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-7-6-10(15-16)8-17-11-4-2-9(3-5-11)12(13)14/h2-7H,8H2,1H3,(H3,13,14).
What are the key properties of 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide?
4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide has a molecular weight of 230.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 82866842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).