5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole

C12H14N2 — CID 118798785

IUPAC5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole
SMILESCc1cccc(C)c1Cc1ccn[nH]1
InChIInChI=1S/C12H14N2/c1-9-4-3-5-10(2)12(9)8-11-6-7-13-14-11/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyMVMWBKGSPJDVCG-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.62
Rot. Bonds2

About 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole

5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole (PubChem CID 118798785) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole
PubChem CID118798785
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole
SMILESCc1cccc(C)c1Cc1ccn[nH]1
InChIInChI=1S/C12H14N2/c1-9-4-3-5-10(2)12(9)8-11-6-7-13-14-11/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyMVMWBKGSPJDVCG-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole?
The IUPAC name of 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole (CID 118798785) is 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole?
The canonical SMILES for 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole is Cc1cccc(C)c1Cc1ccn[nH]1.
What is the InChIKey of 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole?
The InChIKey is MVMWBKGSPJDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-3-5-10(2)12(9)8-11-6-7-13-14-11/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole?
5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole is sourced from PubChem (CID 118798785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).