N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide

C15H20N6O — CID 170755771

IUPACN,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide
SMILESCC(C)C(=O)c1cnn(Cc2ccc(/C(=N/N)NN)cc2)c1
InChIInChI=1S/C15H20N6O/c1-10(2)14(22)13-7-18-21(9-13)8-11-3-5-12(6-4-11)15(19-16)20-17/h3-7,9-10H,8,16-17H2,1-2H3,(H,19,20)
InChIKeyQQNQAQUQJZKMAD-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.85
Rot. Bonds5

About N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide

N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide (PubChem CID 170755771) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide
PubChem CID170755771
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide
SMILESCC(C)C(=O)c1cnn(Cc2ccc(/C(=N/N)NN)cc2)c1
InChIInChI=1S/C15H20N6O/c1-10(2)14(22)13-7-18-21(9-13)8-11-3-5-12(6-4-11)15(19-16)20-17/h3-7,9-10H,8,16-17H2,1-2H3,(H,19,20)
InChIKeyQQNQAQUQJZKMAD-UHFFFAOYSA-N
XLogP0.85
TPSA111.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 170756515
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
1-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]-2-methylpropan-1-one
CID 171593904
ethyl 1-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]pyrazole-4-carboxylate
CID 135353252
2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352212
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352253
methyl 1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
CID 154827636
methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate
CID 69189191
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 55110396
1-[1-(6-aminohept-4-ynyl)pyrazol-4-yl]-2-methylpropan-1-one
CID 170008694

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide (CID 170755771) is N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide is CC(C)C(=O)c1cnn(Cc2ccc(/C(=N/N)NN)cc2)c1.
What is the InChIKey of N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide?
The InChIKey is QQNQAQUQJZKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10(2)14(22)13-7-18-21(9-13)8-11-3-5-12(6-4-11)15(19-16)20-17/h3-7,9-10H,8,16-17H2,1-2H3,(H,19,20).
What are the key properties of N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide?
N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide has a molecular weight of 300.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 170755771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).