1,3-diphenylpyrazole-5-carboximidamide

C16H14N4 — CID 170235177

IUPAC1,3-diphenylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C16H14N4/c17-16(18)15-11-14(12-7-3-1-4-8-12)19-20(15)13-9-5-2-6-10-13/h1-11H,(H3,17,18)
InChIKeyPVVLJZFAOXSPFD-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.82
Rot. Bonds3

About 1,3-diphenylpyrazole-5-carboximidamide

1,3-diphenylpyrazole-5-carboximidamide (PubChem CID 170235177) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1,3-diphenylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name1,3-diphenylpyrazole-5-carboximidamide
PubChem CID170235177
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1,3-diphenylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C16H14N4/c17-16(18)15-11-14(12-7-3-1-4-8-12)19-20(15)13-9-5-2-6-10-13/h1-11H,(H3,17,18)
InChIKeyPVVLJZFAOXSPFD-UHFFFAOYSA-N
XLogP2.82
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-diphenylpyrazole-5-carboximidamide 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 1,3-diphenylpyrazole-5-carboximidamide?
The IUPAC name of 1,3-diphenylpyrazole-5-carboximidamide (CID 170235177) is 1,3-diphenylpyrazole-5-carboximidamide.
What is the SMILES notation for 1,3-diphenylpyrazole-5-carboximidamide?
The canonical SMILES for 1,3-diphenylpyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3-diphenylpyrazole-5-carboximidamide?
The InChIKey is PVVLJZFAOXSPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-16(18)15-11-14(12-7-3-1-4-8-12)19-20(15)13-9-5-2-6-10-13/h1-11H,(H3,17,18).
What are the key properties of 1,3-diphenylpyrazole-5-carboximidamide?
1,3-diphenylpyrazole-5-carboximidamide has a molecular weight of 262.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpyrazole-5-carboximidamide is sourced from PubChem (CID 170235177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).