5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine

C15H21N3 — CID 142904045

IUPAC5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine
SMILESCCCCc1nn(-c2ccccc2C)c(N)c1C
InChIInChI=1S/C15H21N3/c1-4-5-9-13-12(3)15(16)18(17-13)14-10-7-6-8-11(14)2/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyWASJYLKWIRJFHX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.41
Rot. Bonds4

About 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine

5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine (PubChem CID 142904045) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine
PubChem CID142904045
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine
SMILESCCCCc1nn(-c2ccccc2C)c(N)c1C
InChIInChI=1S/C15H21N3/c1-4-5-9-13-12(3)15(16)18(17-13)14-10-7-6-8-11(14)2/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyWASJYLKWIRJFHX-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine?
The IUPAC name of 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine (CID 142904045) is 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine?
The canonical SMILES for 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine is CCCCc1nn(-c2ccccc2C)c(N)c1C.
What is the InChIKey of 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine?
The InChIKey is WASJYLKWIRJFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-5-9-13-12(3)15(16)18(17-13)14-10-7-6-8-11(14)2/h6-8,10H,4-5,9,16H2,1-3H3.
What are the key properties of 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine?
5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine has a molecular weight of 243.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 142904045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).