1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine

C16H23N3 — CID 83218340

IUPAC1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine
SMILESCCC(C)n1cc(N)c(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H23N3/c1-6-13(5)19-9-14(17)16(18-19)15-11(3)7-10(2)8-12(15)4/h7-9,13H,6,17H2,1-5H3
InChIKeyVYDGTNBCGGFGPD-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.03
Rot. Bonds3

About 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine

1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine (PubChem CID 83218340) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine
PubChem CID83218340
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine
SMILESCCC(C)n1cc(N)c(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H23N3/c1-6-13(5)19-9-14(17)16(18-19)15-11(3)7-10(2)8-12(15)4/h7-9,13H,6,17H2,1-5H3
InChIKeyVYDGTNBCGGFGPD-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The IUPAC name of 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine (CID 83218340) is 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine is CCC(C)n1cc(N)c(-c2c(C)cc(C)cc2C)n1.
What is the InChIKey of 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine?
The InChIKey is VYDGTNBCGGFGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-6-13(5)19-9-14(17)16(18-19)15-11(3)7-10(2)8-12(15)4/h7-9,13H,6,17H2,1-5H3.
What are the key properties of 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine?
1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2,4,6-trimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83218340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).