1-(3,4-dimethylphenyl)-3-methylpyrazole

C12H14N2 — CID 90368021

IUPAC1-(3,4-dimethylphenyl)-3-methylpyrazole
SMILESCc1ccn(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H14N2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13-14/h4-8H,1-3H3
InChIKeyDJJKPVOMXWOCDK-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.80
Rot. Bonds1

About 1-(3,4-dimethylphenyl)-3-methylpyrazole

1-(3,4-dimethylphenyl)-3-methylpyrazole (PubChem CID 90368021) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-methylpyrazole
PubChem CID90368021
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(3,4-dimethylphenyl)-3-methylpyrazole
SMILESCc1ccn(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H14N2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13-14/h4-8H,1-3H3
InChIKeyDJJKPVOMXWOCDK-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-methylpyrazole?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-methylpyrazole (CID 90368021) is 1-(3,4-dimethylphenyl)-3-methylpyrazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-methylpyrazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-methylpyrazole is Cc1ccn(-c2ccc(C)c(C)c2)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-methylpyrazole?
The InChIKey is DJJKPVOMXWOCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13-14/h4-8H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-methylpyrazole?
1-(3,4-dimethylphenyl)-3-methylpyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-methylpyrazole is sourced from PubChem (CID 90368021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).