2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine

C19H21N3O — CID 83986834

IUPAC2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(-c3ccccc3)n[nH]2)cc1C
InChIInChI=1S/C19H21N3O/c1-13-10-15(8-9-19(13)23-2)16(12-20)18-11-17(21-22-18)14-6-4-3-5-7-14/h3-11,16H,12,20H2,1-2H3,(H,21,22)
InChIKeyPFKJTPDHWYPFIX-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.48
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine

2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83986834) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
PubChem CID83986834
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(-c3ccccc3)n[nH]2)cc1C
InChIInChI=1S/C19H21N3O/c1-13-10-15(8-9-19(13)23-2)16(12-20)18-11-17(21-22-18)14-6-4-3-5-7-14/h3-11,16H,12,20H2,1-2H3,(H,21,22)
InChIKeyPFKJTPDHWYPFIX-UHFFFAOYSA-N
XLogP3.48
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986425
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986388
2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986824
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986936
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
CID 83986850
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987634
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 83986828
2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987811
1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine
CID 91059211

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (CID 83986834) is 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is COc1ccc(C(CN)c2cc(-c3ccccc3)n[nH]2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is PFKJTPDHWYPFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-10-15(8-9-19(13)23-2)16(12-20)18-11-17(21-22-18)14-6-4-3-5-7-14/h3-11,16H,12,20H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83986834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).