3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine

C21H27N3O — CID 44526652

IUPAC3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
SMILESCCc1cccc(C)c1-n1nc(-c2cc(C(C)(C)C)oc2C)cc1N
InChIInChI=1S/C21H27N3O/c1-7-15-10-8-9-13(2)20(15)24-19(22)12-17(23-24)16-11-18(21(4,5)6)25-14(16)3/h8-12H,7,22H2,1-6H3
InChIKeyJYLKLLMNSPNSFK-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.19
Rot. Bonds3

About 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine

3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine (PubChem CID 44526652) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
PubChem CID44526652
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
SMILESCCc1cccc(C)c1-n1nc(-c2cc(C(C)(C)C)oc2C)cc1N
InChIInChI=1S/C21H27N3O/c1-7-15-10-8-9-13(2)20(15)24-19(22)12-17(23-24)16-11-18(21(4,5)6)25-14(16)3/h8-12H,7,22H2,1-6H3
InChIKeyJYLKLLMNSPNSFK-UHFFFAOYSA-N
XLogP5.19
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine (CID 44526652) is 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine is CCc1cccc(C)c1-n1nc(-c2cc(C(C)(C)C)oc2C)cc1N.
What is the InChIKey of 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine?
The InChIKey is JYLKLLMNSPNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-7-15-10-8-9-13(2)20(15)24-19(22)12-17(23-24)16-11-18(21(4,5)6)25-14(16)3/h8-12H,7,22H2,1-6H3.
What are the key properties of 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine?
3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine has a molecular weight of 337.47 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 44526652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).