2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine

C19H21N3O2 — CID 83986936

IUPAC2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1ccc(-c2cc(C(CN)c3ccccc3OC)[nH]n2)cc1
InChIInChI=1S/C19H21N3O2/c1-23-14-9-7-13(8-10-14)17-11-18(22-21-17)16(12-20)15-5-3-4-6-19(15)24-2/h3-11,16H,12,20H2,1-2H3,(H,21,22)
InChIKeyJAYRCEMCMVQKEZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.18
Rot. Bonds6

About 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine

2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 83986936) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID83986936
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1ccc(-c2cc(C(CN)c3ccccc3OC)[nH]n2)cc1
InChIInChI=1S/C19H21N3O2/c1-23-14-9-7-13(8-10-14)17-11-18(22-21-17)16(12-20)15-5-3-4-6-19(15)24-2/h3-11,16H,12,20H2,1-2H3,(H,21,22)
InChIKeyJAYRCEMCMVQKEZ-UHFFFAOYSA-N
XLogP3.18
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine (CID 83986936) is 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine is COc1ccc(-c2cc(C(CN)c3ccccc3OC)[nH]n2)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is JAYRCEMCMVQKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-14-9-7-13(8-10-14)17-11-18(22-21-17)16(12-20)15-5-3-4-6-19(15)24-2/h3-11,16H,12,20H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 323.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 83986936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).