2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine

C14H19N3O — CID 82072251

IUPAC2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCCOc1ccc(-c2cc(CCN)nn2C)cc1
InChIInChI=1S/C14H19N3O/c1-3-18-13-6-4-11(5-7-13)14-10-12(8-9-15)16-17(14)2/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyFHEVPZPNPGROIV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.99
Rot. Bonds5

About 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine

2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine (PubChem CID 82072251) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
PubChem CID82072251
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCCOc1ccc(-c2cc(CCN)nn2C)cc1
InChIInChI=1S/C14H19N3O/c1-3-18-13-6-4-11(5-7-13)14-10-12(8-9-15)16-17(14)2/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyFHEVPZPNPGROIV-UHFFFAOYSA-N
XLogP1.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
CID 135066490
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
2-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]ethanamine
CID 82478930
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine
CID 82072305
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82476618
[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82478236

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine (CID 82072251) is 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine is CCOc1ccc(-c2cc(CCN)nn2C)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine?
The InChIKey is FHEVPZPNPGROIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-13-6-4-11(5-7-13)14-10-12(8-9-15)16-17(14)2/h4-7,10H,3,8-9,15H2,1-2H3.
What are the key properties of 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine?
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82072251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).