N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide

C17H22N4O2 — CID 72718718

IUPACN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
InChIInChI=1S/C17H22N4O2/c1-2-23-12-17(22)19-9-10-21-16(13-6-7-13)11-15(20-21)14-5-3-4-8-18-14/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H,19,22)
InChIKeyJZHPBHHYRUVTPJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.98
Rot. Bonds8

About N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide

N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide (PubChem CID 72718718) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide
PubChem CID72718718
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
InChIInChI=1S/C17H22N4O2/c1-2-23-12-17(22)19-9-10-21-16(13-6-7-13)11-15(20-21)14-5-3-4-8-18-14/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H,19,22)
InChIKeyJZHPBHHYRUVTPJ-UHFFFAOYSA-N
XLogP1.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide;hydrochloride
CID 16196231
N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307455
US10071974, Example 32
CID 121346633
US9763922, Example 42
CID 138805952
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35335313
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate
CID 44589858
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-pyridin-4-ylacetamide
CID 53555337
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53555369
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53559118
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53562907
1-((1-cyclopentyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl)methyl)-3-(2-methoxyethyl)urea
CID 71797598
N-{2-[3-(pyridin-4-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanecarboxamide
CID 71807800

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide (CID 72718718) is N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide is CCOCC(=O)NCCn1nc(-c2ccccn2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide?
The InChIKey is JZHPBHHYRUVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-23-12-17(22)19-9-10-21-16(13-6-7-13)11-15(20-21)14-5-3-4-8-18-14/h3-5,8,11,13H,2,6-7,9-10,12H2,1H3,(H,19,22).
What are the key properties of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide?
N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 72718718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).