2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide

C19H20N4O2 — CID 126850962

IUPAC2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C19H20N4O2/c1-15(25-18-5-3-2-4-6-18)19(24)21-11-12-23-14-17(13-22-23)16-7-9-20-10-8-16/h2-10,13-15H,11-12H2,1H3,(H,21,24)
InChIKeyQBNKNTQEJHAPOF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.53
Rot. Bonds7

About 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide

2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide (PubChem CID 126850962) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
PubChem CID126850962
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C19H20N4O2/c1-15(25-18-5-3-2-4-6-18)19(24)21-11-12-23-14-17(13-22-23)16-7-9-20-10-8-16/h2-10,13-15H,11-12H2,1H3,(H,21,24)
InChIKeyQBNKNTQEJHAPOF-UHFFFAOYSA-N
XLogP2.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 126852886
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
CID 97042298
N-methyl-2-(4-pyridin-4-ylpyrazol-1-yl)ethanamine
CID 121213954
N-ethyl-2-phenoxypropanamide
CID 4282518
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126854930
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide (CID 126850962) is 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide is CC(Oc1ccccc1)C(=O)NCCn1cc(-c2ccncc2)cn1.
What is the InChIKey of 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is QBNKNTQEJHAPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15(25-18-5-3-2-4-6-18)19(24)21-11-12-23-14-17(13-22-23)16-7-9-20-10-8-16/h2-10,13-15H,11-12H2,1H3,(H,21,24).
What are the key properties of 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide?
2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 126850962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).