2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide

C13H16N4O2 — CID 54881785

IUPAC2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
SMILESCC(Nc1cccc(OCC(N)=O)c1)c1ccn[nH]1
InChIInChI=1S/C13H16N4O2/c1-9(12-5-6-15-17-12)16-10-3-2-4-11(7-10)19-8-13(14)18/h2-7,9,16H,8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyWWIPBGHLADIREG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.45
Rot. Bonds6

About 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide

2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide (PubChem CID 54881785) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
PubChem CID54881785
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
SMILESCC(Nc1cccc(OCC(N)=O)c1)c1ccn[nH]1
InChIInChI=1S/C13H16N4O2/c1-9(12-5-6-15-17-12)16-10-3-2-4-11(7-10)19-8-13(14)18/h2-7,9,16H,8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyWWIPBGHLADIREG-UHFFFAOYSA-N
XLogP1.45
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide
CID 54881184
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
(2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide
CID 35636251
2-[3-(dicyclopropylmethylamino)phenoxy]acetamide
CID 43720251
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline
CID 54881777
3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972440
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
N-methyl-2-[3-(1-pyridin-4-ylethylamino)phenoxy]acetamide
CID 43693413
[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
CID 54881622
3,4-dimethoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881496
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide (CID 54881785) is 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide is CC(Nc1cccc(OCC(N)=O)c1)c1ccn[nH]1.
What is the InChIKey of 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide?
The InChIKey is WWIPBGHLADIREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(12-5-6-15-17-12)16-10-3-2-4-11(7-10)19-8-13(14)18/h2-7,9,16H,8H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide?
2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide is sourced from PubChem (CID 54881785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).