N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

C18H18N4 — CID 2322839

IUPACN'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESC/N=C(/Nc1cc(C)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4/c1-14-13-17(22(21-14)16-11-7-4-8-12-16)20-18(19-2)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,19,20)
InChIKeyLJYWZTSETXGNEI-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.67
Rot. Bonds3

About N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (PubChem CID 2322839) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
PubChem CID2322839
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESC/N=C(/Nc1cc(C)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4/c1-14-13-17(22(21-14)16-11-7-4-8-12-16)20-18(19-2)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,19,20)
InChIKeyLJYWZTSETXGNEI-UHFFFAOYSA-N
XLogP3.67
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (CID 2322839) is N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is C/N=C(/Nc1cc(C)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The InChIKey is LJYWZTSETXGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-13-17(22(21-14)16-11-7-4-8-12-16)20-18(19-2)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,19,20).
What are the key properties of N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide has a molecular weight of 290.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 2322839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).