1,3-dimethyl-5-phenylpyrazole

C11H12N2 — CID 10773531

IUPAC1,3-dimethyl-5-phenylpyrazole
SMILESCc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C11H12N2/c1-9-8-11(13(2)12-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyDTXMGLLAMAWYNE-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.40
Rot. Bonds1

About 1,3-dimethyl-5-phenylpyrazole

1,3-dimethyl-5-phenylpyrazole (PubChem CID 10773531) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenylpyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-phenylpyrazole
PubChem CID10773531
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1,3-dimethyl-5-phenylpyrazole
SMILESCc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C11H12N2/c1-9-8-11(13(2)12-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyDTXMGLLAMAWYNE-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-5-phenylpyrazole 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-dimethyl-5-phenylpyrazole?
The IUPAC name of 1,3-dimethyl-5-phenylpyrazole (CID 10773531) is 1,3-dimethyl-5-phenylpyrazole.
What is the SMILES notation for 1,3-dimethyl-5-phenylpyrazole?
The canonical SMILES for 1,3-dimethyl-5-phenylpyrazole is Cc1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-phenylpyrazole?
The InChIKey is DTXMGLLAMAWYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-8-11(13(2)12-9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 1,3-dimethyl-5-phenylpyrazole?
1,3-dimethyl-5-phenylpyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenylpyrazole is sourced from PubChem (CID 10773531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).