2,5-bis(3-methylphenyl)-3,4-dihydropyrazole

C17H18N2 — CID 20525291

IUPAC2,5-bis(3-methylphenyl)-3,4-dihydropyrazole
SMILESCc1cccc(C2=NN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C17H18N2/c1-13-5-3-7-15(11-13)17-9-10-19(18-17)16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyHRXVXXXMNXACDA-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.92
Rot. Bonds2

About 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole

2,5-bis(3-methylphenyl)-3,4-dihydropyrazole (PubChem CID 20525291) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-bis(3-methylphenyl)-3,4-dihydropyrazole
PubChem CID20525291
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2,5-bis(3-methylphenyl)-3,4-dihydropyrazole
SMILESCc1cccc(C2=NN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C17H18N2/c1-13-5-3-7-15(11-13)17-9-10-19(18-17)16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyHRXVXXXMNXACDA-UHFFFAOYSA-N
XLogP3.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole (CID 20525291) is 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole is Cc1cccc(C2=NN(c3cccc(C)c3)CC2)c1.
What is the InChIKey of 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole?
The InChIKey is HRXVXXXMNXACDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13-5-3-7-15(11-13)17-9-10-19(18-17)16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole?
2,5-bis(3-methylphenyl)-3,4-dihydropyrazole has a molecular weight of 250.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 20525291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).