2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine

C21H25N3O — CID 83986336

IUPAC2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(C(C)C)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H25N3O/c1-15(2)20-13-21(24(23-20)17-7-5-4-6-8-17)19(14-22)16-9-11-18(25-3)12-10-16/h4-13,15,19H,14,22H2,1-3H3
InChIKeyPURNCZJSIQTLGA-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.09
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine

2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine (PubChem CID 83986336) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
PubChem CID83986336
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(C(C)C)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H25N3O/c1-15(2)20-13-21(24(23-20)17-7-5-4-6-8-17)19(14-22)16-9-11-18(25-3)12-10-16/h4-13,15,19H,14,22H2,1-3H3
InChIKeyPURNCZJSIQTLGA-UHFFFAOYSA-N
XLogP4.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine (CID 83986336) is 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine is COc1ccc(C(CN)c2cc(C(C)C)nn2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The InChIKey is PURNCZJSIQTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15(2)20-13-21(24(23-20)17-7-5-4-6-8-17)19(14-22)16-9-11-18(25-3)12-10-16/h4-13,15,19H,14,22H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine has a molecular weight of 335.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 83986336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).