2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole

C11H14N2 — CID 134289682

IUPAC2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole
SMILESCc1cccc(C2=CN(C)NC2)c1
InChIInChI=1S/C11H14N2/c1-9-4-3-5-10(6-9)11-7-12-13(2)8-11/h3-6,8,12H,7H2,1-2H3
InChIKeyUCTOWAGIJXZQEX-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.79
Rot. Bonds1

About 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole

2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole (PubChem CID 134289682) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole
PubChem CID134289682
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole
SMILESCc1cccc(C2=CN(C)NC2)c1
InChIInChI=1S/C11H14N2/c1-9-4-3-5-10(6-9)11-7-12-13(2)8-11/h3-6,8,12H,7H2,1-2H3
InChIKeyUCTOWAGIJXZQEX-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole?
The IUPAC name of 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole (CID 134289682) is 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole.
What is the SMILES notation for 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole?
The canonical SMILES for 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole is Cc1cccc(C2=CN(C)NC2)c1.
What is the InChIKey of 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole?
The InChIKey is UCTOWAGIJXZQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-4-3-5-10(6-9)11-7-12-13(2)8-11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole?
2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole has a molecular weight of 174.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole is sourced from PubChem (CID 134289682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).