2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine

C19H29N3 — CID 83986514

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)c2cc(C(C)(C)C)nn2C)cc1
InChIInChI=1S/C19H29N3/c1-13(2)14-7-9-15(10-8-14)16(12-20)17-11-18(19(3,4)5)21-22(17)6/h7-11,13,16H,12,20H2,1-6H3
InChIKeyFDTAODPIDOHSED-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine

2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 83986514) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID83986514
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)c2cc(C(C)(C)C)nn2C)cc1
InChIInChI=1S/C19H29N3/c1-13(2)14-7-9-15(10-8-14)16(12-20)17-11-18(19(3,4)5)21-22(17)6/h7-11,13,16H,12,20H2,1-6H3
InChIKeyFDTAODPIDOHSED-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 83986514) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(CN)c2cc(C(C)(C)C)nn2C)cc1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is FDTAODPIDOHSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-13(2)14-7-9-15(10-8-14)16(12-20)17-11-18(19(3,4)5)21-22(17)6/h7-11,13,16H,12,20H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 299.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 83986514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).