5-phenyl-3-pyrazol-1-yl-1H-pyrazole

C12H10N4 — CID 173358488

IUPAC5-phenyl-3-pyrazol-1-yl-1H-pyrazole
SMILESc1ccc(-c2cc(-n3cccn3)n[nH]2)cc1
InChIInChI=1S/C12H10N4/c1-2-5-10(6-3-1)11-9-12(15-14-11)16-8-4-7-13-16/h1-9H,(H,14,15)
InChIKeyOEDQSQQFKFXHQS-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.26
Rot. Bonds2

About 5-phenyl-3-pyrazol-1-yl-1H-pyrazole

5-phenyl-3-pyrazol-1-yl-1H-pyrazole (PubChem CID 173358488) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-phenyl-3-pyrazol-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-phenyl-3-pyrazol-1-yl-1H-pyrazole
PubChem CID173358488
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name5-phenyl-3-pyrazol-1-yl-1H-pyrazole
SMILESc1ccc(-c2cc(-n3cccn3)n[nH]2)cc1
InChIInChI=1S/C12H10N4/c1-2-5-10(6-3-1)11-9-12(15-14-11)16-8-4-7-13-16/h1-9H,(H,14,15)
InChIKeyOEDQSQQFKFXHQS-UHFFFAOYSA-N
XLogP2.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-3-pyrazol-1-yl-1H-pyrazole 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 5-phenyl-3-pyrazol-1-yl-1H-pyrazole?
The IUPAC name of 5-phenyl-3-pyrazol-1-yl-1H-pyrazole (CID 173358488) is 5-phenyl-3-pyrazol-1-yl-1H-pyrazole.
What is the SMILES notation for 5-phenyl-3-pyrazol-1-yl-1H-pyrazole?
The canonical SMILES for 5-phenyl-3-pyrazol-1-yl-1H-pyrazole is c1ccc(-c2cc(-n3cccn3)n[nH]2)cc1.
What is the InChIKey of 5-phenyl-3-pyrazol-1-yl-1H-pyrazole?
The InChIKey is OEDQSQQFKFXHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-2-5-10(6-3-1)11-9-12(15-14-11)16-8-4-7-13-16/h1-9H,(H,14,15).
What are the key properties of 5-phenyl-3-pyrazol-1-yl-1H-pyrazole?
5-phenyl-3-pyrazol-1-yl-1H-pyrazole has a molecular weight of 210.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-pyrazol-1-yl-1H-pyrazole is sourced from PubChem (CID 173358488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).