1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole

C14H18N2 — CID 55029368

IUPAC1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole
SMILESCc1ccc(C)c(-n2nc(C)c(C)c2C)c1
InChIInChI=1S/C14H18N2/c1-9-6-7-10(2)14(8-9)16-13(5)11(3)12(4)15-16/h6-8H,1-5H3
InChIKeyKLPVXWDNPLZAPC-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.41
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole

1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole (PubChem CID 55029368) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole
PubChem CID55029368
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole
SMILESCc1ccc(C)c(-n2nc(C)c(C)c2C)c1
InChIInChI=1S/C14H18N2/c1-9-6-7-10(2)14(8-9)16-13(5)11(3)12(4)15-16/h6-8H,1-5H3
InChIKeyKLPVXWDNPLZAPC-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole?
The IUPAC name of 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole (CID 55029368) is 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole is Cc1ccc(C)c(-n2nc(C)c(C)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole?
The InChIKey is KLPVXWDNPLZAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-6-7-10(2)14(8-9)16-13(5)11(3)12(4)15-16/h6-8H,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole?
1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole is sourced from PubChem (CID 55029368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).