2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

C18H23N3O4 — CID 56817971

IUPAC2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C18H23N3O4/c1-2-23-16-7-3-4-8-17(16)25-13-18(22)20-14-10-19-21(11-14)12-15-6-5-9-24-15/h3-4,7-8,10-11,15H,2,5-6,9,12-13H2,1H3,(H,20,22)
InChIKeyDYNLGKYWAMQQGC-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.48
Rot. Bonds8

About 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 56817971) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID56817971
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C18H23N3O4/c1-2-23-16-7-3-4-8-17(16)25-13-18(22)20-14-10-19-21(11-14)12-15-6-5-9-24-15/h3-4,7-8,10-11,15H,2,5-6,9,12-13H2,1H3,(H,20,22)
InChIKeyDYNLGKYWAMQQGC-UHFFFAOYSA-N
XLogP2.48
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354491
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47070427
2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354441
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
(E)-3-(2-methoxyphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 94801288
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 56817971) is 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is CCOc1ccccc1OCC(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is DYNLGKYWAMQQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-23-16-7-3-4-8-17(16)25-13-18(22)20-14-10-19-21(11-14)12-15-6-5-9-24-15/h3-4,7-8,10-11,15H,2,5-6,9,12-13H2,1H3,(H,20,22).
What are the key properties of 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 56817971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).