2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine

C17H18N4O — CID 82072774

IUPAC2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
SMILESCOc1ccc(-n2nc(CCN)cc2-c2cccnc2)cc1
InChIInChI=1S/C17H18N4O/c1-22-16-6-4-15(5-7-16)21-17(11-14(20-21)8-9-18)13-3-2-10-19-12-13/h2-7,10-12H,8-9,18H2,1H3
InChIKeyBQQPMUAKBFUGHX-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.44
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine

2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine (PubChem CID 82072774) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
PubChem CID82072774
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
SMILESCOc1ccc(-n2nc(CCN)cc2-c2cccnc2)cc1
InChIInChI=1S/C17H18N4O/c1-22-16-6-4-15(5-7-16)21-17(11-14(20-21)8-9-18)13-3-2-10-19-12-13/h2-7,10-12H,8-9,18H2,1H3
InChIKeyBQQPMUAKBFUGHX-UHFFFAOYSA-N
XLogP2.44
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine
CID 82072849
2-(1-pyridin-2-yl-5-pyridin-3-ylpyrazol-3-yl)ethanamine
CID 82072789
3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
CID 67998342
2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072788
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53002239
3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
CID 82370111
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871
[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine (CID 82072774) is 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine is COc1ccc(-n2nc(CCN)cc2-c2cccnc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine?
The InChIKey is BQQPMUAKBFUGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-16-6-4-15(5-7-16)21-17(11-14(20-21)8-9-18)13-3-2-10-19-12-13/h2-7,10-12H,8-9,18H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine?
2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine has a molecular weight of 294.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82072774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).