1-(3,4-dimethylphenyl)pyrazole

C11H12N2 — CID 58508689

IUPAC1-(3,4-dimethylphenyl)pyrazole
SMILESCc1ccc(-n2cccn2)cc1C
InChIInChI=1S/C11H12N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13/h3-8H,1-2H3
InChIKeySNGXYFSRFIBCTD-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.49
Rot. Bonds1

About 1-(3,4-dimethylphenyl)pyrazole

1-(3,4-dimethylphenyl)pyrazole (PubChem CID 58508689) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)pyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)pyrazole
PubChem CID58508689
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-(3,4-dimethylphenyl)pyrazole
SMILESCc1ccc(-n2cccn2)cc1C
InChIInChI=1S/C11H12N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13/h3-8H,1-2H3
InChIKeySNGXYFSRFIBCTD-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.49
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)pyrazole?
The IUPAC name of 1-(3,4-dimethylphenyl)pyrazole (CID 58508689) is 1-(3,4-dimethylphenyl)pyrazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)pyrazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)pyrazole is Cc1ccc(-n2cccn2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)pyrazole?
The InChIKey is SNGXYFSRFIBCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13/h3-8H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)pyrazole?
1-(3,4-dimethylphenyl)pyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.49, 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)pyrazole is sourced from PubChem (CID 58508689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).