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

C19H22N4O — CID 82072305

IUPAC2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine
SMILESCCCOc1ccc(-c2cc(CCN)nn2-c2ccccn2)cc1
InChIInChI=1S/C19H22N4O/c1-2-13-24-17-8-6-15(7-9-17)18-14-16(10-11-20)22-23(18)19-5-3-4-12-21-19/h3-9,12,14H,2,10-11,13,20H2,1H3
InChIKeySTVAPQOAOWUBHJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.22
Rot. Bonds7

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

2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine (PubChem CID 82072305) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine
PubChem CID82072305
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine
SMILESCCCOc1ccc(-c2cc(CCN)nn2-c2ccccn2)cc1
InChIInChI=1S/C19H22N4O/c1-2-13-24-17-8-6-15(7-9-17)18-14-16(10-11-20)22-23(18)19-5-3-4-12-21-19/h3-9,12,14H,2,10-11,13,20H2,1H3
InChIKeySTVAPQOAOWUBHJ-UHFFFAOYSA-N
XLogP3.22
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-pyridin-2-yl-5-pyridin-3-ylpyrazol-3-yl)ethanamine
CID 82072789
(5-phenyl-1-pyridin-2-ylpyrazol-3-yl)methanamine
CID 82071840
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
2-[3-(4-octadecoxyphenyl)pyrazol-1-yl]pyridine
CID 86228404
2-[3-(4-decoxyphenyl)pyrazol-1-yl]pyridine
CID 86228398
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82463581
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
CID 82072317
3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal
CID 87496288
2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072774

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine (CID 82072305) is 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine is CCCOc1ccc(-c2cc(CCN)nn2-c2ccccn2)cc1.
What is the InChIKey of 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine?
The InChIKey is STVAPQOAOWUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-13-24-17-8-6-15(7-9-17)18-14-16(10-11-20)22-23(18)19-5-3-4-12-21-19/h3-9,12,14H,2,10-11,13,20H2,1H3.
What are the key properties of 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine?
2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine has a molecular weight of 322.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82072305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).