2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine

C16H23N3O — CID 107330887

IUPAC2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine
SMILESCCCC(OCC)C(N)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-8-15(20-4-2)16(17)14-11-12-18-19(14)13-9-6-5-7-10-13/h5-7,9-12,15-16H,3-4,8,17H2,1-2H3
InChIKeyYKBIDKKDCZNNCO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.08
Rot. Bonds7

About 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine

2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine (PubChem CID 107330887) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine
PubChem CID107330887
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine
SMILESCCCC(OCC)C(N)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-8-15(20-4-2)16(17)14-11-12-18-19(14)13-9-6-5-7-10-13/h5-7,9-12,15-16H,3-4,8,17H2,1-2H3
InChIKeyYKBIDKKDCZNNCO-UHFFFAOYSA-N
XLogP3.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethoxy-1-(2-methylpyrazol-3-yl)pentyl]hydrazine
CID 105271267
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
2-ethoxy-1-pyridin-3-ylpentan-1-amine
CID 116717421
1-(2-phenylpyrazol-3-yl)hex-1-yn-3-amine
CID 114160767
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
3-phenyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330546
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190
(3-methylcyclopentyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330702
(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331981
4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332084
2-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylpentan-1-amine
CID 116718323
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine (CID 107330887) is 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine is CCCC(OCC)C(N)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine?
The InChIKey is YKBIDKKDCZNNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-8-15(20-4-2)16(17)14-11-12-18-19(14)13-9-6-5-7-10-13/h5-7,9-12,15-16H,3-4,8,17H2,1-2H3.
What are the key properties of 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine?
2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine is sourced from PubChem (CID 107330887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).