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

C15H21N3O — CID 59151784

IUPAC3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
SMILESCOc1cc(-n2nc(C(C)(C)C)cc2N)ccc1C
InChIInChI=1S/C15H21N3O/c1-10-6-7-11(8-12(10)19-5)18-14(16)9-13(17-18)15(2,3)4/h6-9H,16H2,1-5H3
InChIKeyVNIKLIXHBXNKGA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.07
Rot. Bonds2

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

3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine (PubChem CID 59151784) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
PubChem CID59151784
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
SMILESCOc1cc(-n2nc(C(C)(C)C)cc2N)ccc1C
InChIInChI=1S/C15H21N3O/c1-10-6-7-11(8-12(10)19-5)18-14(16)9-13(17-18)15(2,3)4/h6-9H,16H2,1-5H3
InChIKeyVNIKLIXHBXNKGA-UHFFFAOYSA-N
XLogP3.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine (CID 59151784) is 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine is COc1cc(-n2nc(C(C)(C)C)cc2N)ccc1C.
What is the InChIKey of 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine?
The InChIKey is VNIKLIXHBXNKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-6-7-11(8-12(10)19-5)18-14(16)9-13(17-18)15(2,3)4/h6-9H,16H2,1-5H3.
What are the key properties of 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine?
3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 59151784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).