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

C18H24N4O2 — CID 47070427

IUPAC2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCN(CC(=O)Nc1cnn(CC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-2-21(16-7-4-3-5-8-16)14-18(23)20-15-11-19-22(12-15)13-17-9-6-10-24-17/h3-5,7-8,11-12,17H,2,6,9-10,13-14H2,1H3,(H,20,23)
InChIKeyHRYIWKROLATGOG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.53
Rot. Bonds7

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

2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 47070427) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID47070427
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCN(CC(=O)Nc1cnn(CC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-2-21(16-7-4-3-5-8-16)14-18(23)20-15-11-19-22(12-15)13-17-9-6-10-24-17/h3-5,7-8,11-12,17H,2,6,9-10,13-14H2,1H3,(H,20,23)
InChIKeyHRYIWKROLATGOG-UHFFFAOYSA-N
XLogP2.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 56817971
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide
CID 129354476
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 47070427) is 2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is CCN(CC(=O)Nc1cnn(CC2CCCO2)c1)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is HRYIWKROLATGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-21(16-7-4-3-5-8-16)14-18(23)20-15-11-19-22(12-15)13-17-9-6-10-24-17/h3-5,7-8,11-12,17H,2,6,9-10,13-14H2,1H3,(H,20,23).
What are the key properties of 2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 328.42 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-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 47070427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).