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

C13H17N3 — CID 82113707

IUPAC5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine
SMILESCc1cc(C)c(-c2n[nH]c(C)c2N)c(C)c1
InChIInChI=1S/C13H17N3/c1-7-5-8(2)11(9(3)6-7)13-12(14)10(4)15-16-13/h5-6H,14H2,1-4H3,(H,15,16)
InChIKeyKPTDHHSIALEDTE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.89
Rot. Bonds1

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

5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine (PubChem CID 82113707) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine
PubChem CID82113707
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine
SMILESCc1cc(C)c(-c2n[nH]c(C)c2N)c(C)c1
InChIInChI=1S/C13H17N3/c1-7-5-8(2)11(9(3)6-7)13-12(14)10(4)15-16-13/h5-6H,14H2,1-4H3,(H,15,16)
InChIKeyKPTDHHSIALEDTE-UHFFFAOYSA-N
XLogP2.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-4-(2,4,6-trimethylphenyl)-1H-imidazole
CID 22935263
3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82479888
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione
CID 106520357
5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine
CID 42873908
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826863
5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 82081647
5-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 115503502
3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826861
4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037187
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 42873937
cobalt;2,4,6-trimethylaniline
CID 159454360

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine (CID 82113707) is 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine is Cc1cc(C)c(-c2n[nH]c(C)c2N)c(C)c1.
What is the InChIKey of 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine?
The InChIKey is KPTDHHSIALEDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-7-5-8(2)11(9(3)6-7)13-12(14)10(4)15-16-13/h5-6H,14H2,1-4H3,(H,15,16).
What are the key properties of 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine?
5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 82113707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).