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

C12H14N2 — CID 79032553

IUPAC1-[(2,6-dimethylphenyl)methyl]pyrazole
SMILESCc1cccc(C)c1Cn1cccn1
InChIInChI=1S/C12H14N2/c1-10-5-3-6-11(2)12(10)9-14-8-4-7-13-14/h3-8H,9H2,1-2H3
InChIKeyPEGWMPGOWBCQTG-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.55
Rot. Bonds2

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

1-[(2,6-dimethylphenyl)methyl]pyrazole (PubChem CID 79032553) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]pyrazole
PubChem CID79032553
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-[(2,6-dimethylphenyl)methyl]pyrazole
SMILESCc1cccc(C)c1Cn1cccn1
InChIInChI=1S/C12H14N2/c1-10-5-3-6-11(2)12(10)9-14-8-4-7-13-14/h3-8H,9H2,1-2H3
InChIKeyPEGWMPGOWBCQTG-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491576
trimethyl-[3-(pyrazol-1-ylmethyl)phenyl]silane
CID 141433506
ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
CID 176952887
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoacetic acid
CID 86290103
1-ethylpyrazole;propane
CID 142296683

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]pyrazole?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]pyrazole (CID 79032553) is 1-[(2,6-dimethylphenyl)methyl]pyrazole.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]pyrazole?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]pyrazole is Cc1cccc(C)c1Cn1cccn1.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]pyrazole?
The InChIKey is PEGWMPGOWBCQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10-5-3-6-11(2)12(10)9-14-8-4-7-13-14/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]pyrazole?
1-[(2,6-dimethylphenyl)methyl]pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]pyrazole is sourced from PubChem (CID 79032553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).