3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine

C14H19N3 — CID 2974132

IUPAC3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2N)cc1
InChIInChI=1S/C14H19N3/c1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3
InChIKeyITHNHEWXIBNEDG-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.06
Rot. Bonds1

About 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine

3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine (PubChem CID 2974132) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine
PubChem CID2974132
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2N)cc1
InChIInChI=1S/C14H19N3/c1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3
InChIKeyITHNHEWXIBNEDG-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine (CID 2974132) is 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.
What is the InChIKey of 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is ITHNHEWXIBNEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine?
3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 2974132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).