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

C13H17N3 — CID 62797360

IUPAC5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)c(-n2ncc(N)c2C)c(C)c1
InChIInChI=1S/C13H17N3/c1-8-5-9(2)13(10(3)6-8)16-11(4)12(14)7-15-16/h5-7H,14H2,1-4H3
InChIKeyDDSSCOWCPWFDTQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.69
Rot. Bonds1

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

5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine (PubChem CID 62797360) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
PubChem CID62797360
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)c(-n2ncc(N)c2C)c(C)c1
InChIInChI=1S/C13H17N3/c1-8-5-9(2)13(10(3)6-8)16-11(4)12(14)7-15-16/h5-7H,14H2,1-4H3
InChIKeyDDSSCOWCPWFDTQ-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The IUPAC name of 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine (CID 62797360) is 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine is Cc1cc(C)c(-n2ncc(N)c2C)c(C)c1.
What is the InChIKey of 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The InChIKey is DDSSCOWCPWFDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8-5-9(2)13(10(3)6-8)16-11(4)12(14)7-15-16/h5-7H,14H2,1-4H3.
What are the key properties of 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine?
5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 62797360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).