2,5-dimethyl-3-phenyl-3,4-dihydropyrazole

C11H14N2 — CID 10154266

IUPAC2,5-dimethyl-3-phenyl-3,4-dihydropyrazole
SMILESCC1=NN(C)C(c2ccccc2)C1
InChIInChI=1S/C11H14N2/c1-9-8-11(13(2)12-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3
InChIKeyPPHPMOSSIKZANY-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.44
Rot. Bonds1

About 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole

2,5-dimethyl-3-phenyl-3,4-dihydropyrazole (PubChem CID 10154266) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-3,4-dihydropyrazole
PubChem CID10154266
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,5-dimethyl-3-phenyl-3,4-dihydropyrazole
SMILESCC1=NN(C)C(c2ccccc2)C1
InChIInChI=1S/C11H14N2/c1-9-8-11(13(2)12-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3
InChIKeyPPHPMOSSIKZANY-UHFFFAOYSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole (CID 10154266) is 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole is CC1=NN(C)C(c2ccccc2)C1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole?
The InChIKey is PPHPMOSSIKZANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-8-11(13(2)12-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole?
2,5-dimethyl-3-phenyl-3,4-dihydropyrazole has a molecular weight of 174.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 10154266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).