3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine

C14H19N3 — CID 39247652

IUPAC3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)c(-n2nc(C)c(N)c2C)c(C)c1
InChIInChI=1S/C14H19N3/c1-8-6-9(2)14(10(3)7-8)17-12(5)13(15)11(4)16-17/h6-7H,15H2,1-5H3
InChIKeyPVCQXOTUAIWZGZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.00
Rot. Bonds1

About 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine

3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine (PubChem CID 39247652) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
PubChem CID39247652
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)c(-n2nc(C)c(N)c2C)c(C)c1
InChIInChI=1S/C14H19N3/c1-8-6-9(2)14(10(3)7-8)17-12(5)13(15)11(4)16-17/h6-7H,15H2,1-5H3
InChIKeyPVCQXOTUAIWZGZ-UHFFFAOYSA-N
XLogP3.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 573307
3,5-Dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-amine
CID 571135
Pyrazole, 1-benzyl-4-(dimethylamino)-3,5-dimethyl-
CID 206689
4-(3,5-dimethyl-1H-pyrazol-1-yl)benzylamine
CID 16640534
2-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine
CID 16769902
[2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanamine
CID 19616721
3,5-dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-amine
CID 20312858
1-(4-methylphenyl)-5-(propan-2-yl)-1H-pyrazol-4-amine
CID 66425916
3,5-Dimethyl-1-(4-methylphenyl)-1H-pyrazole
CID 13637618
3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 2740504

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine (CID 39247652) is 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine is Cc1cc(C)c(-n2nc(C)c(N)c2C)c(C)c1.
What is the InChIKey of 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The InChIKey is PVCQXOTUAIWZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-8-6-9(2)14(10(3)7-8)17-12(5)13(15)11(4)16-17/h6-7H,15H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine?
3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine has a molecular weight of 229.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 39247652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).