N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide

C12H14N4 — CID 121015575

IUPACN'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccnn1C)c1ccccc1
InChIInChI=1S/C12H14N4/c1-13-12(10-6-4-3-5-7-10)15-11-8-9-14-16(11)2/h3-9H,1-2H3,(H,13,15)
InChIKeyUXKMCMAVPIFYDY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.91
Rot. Bonds2

About N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide

N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide (PubChem CID 121015575) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide
PubChem CID121015575
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccnn1C)c1ccccc1
InChIInChI=1S/C12H14N4/c1-13-12(10-6-4-3-5-7-10)15-11-8-9-14-16(11)2/h3-9H,1-2H3,(H,13,15)
InChIKeyUXKMCMAVPIFYDY-UHFFFAOYSA-N
XLogP1.91
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.91
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'}

Analyze N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide (CID 121015575) is N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide is C/N=C(/Nc1ccnn1C)c1ccccc1.
What is the InChIKey of N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide?
The InChIKey is UXKMCMAVPIFYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-13-12(10-6-4-3-5-7-10)15-11-8-9-14-16(11)2/h3-9H,1-2H3,(H,13,15).
What are the key properties of N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide?
N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide has a molecular weight of 214.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 121015575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).