N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide

C18H22N4O2 — CID 91777883

IUPACN-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCCN(CCn1cccn1)C(=O)CCN1Cc2ccccc2C1=O
InChIInChI=1S/C18H22N4O2/c1-2-20(12-13-22-10-5-9-19-22)17(23)8-11-21-14-15-6-3-4-7-16(15)18(21)24/h3-7,9-10H,2,8,11-14H2,1H3
InChIKeyBAEWEEXUDIQTIP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.78
Rot. Bonds7

About N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide

N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 91777883) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID91777883
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCCN(CCn1cccn1)C(=O)CCN1Cc2ccccc2C1=O
InChIInChI=1S/C18H22N4O2/c1-2-20(12-13-22-10-5-9-19-22)17(23)8-11-21-14-15-6-3-4-7-16(15)18(21)24/h3-7,9-10H,2,8,11-14H2,1H3
InChIKeyBAEWEEXUDIQTIP-UHFFFAOYSA-N
XLogP1.78
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide (CID 91777883) is N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide is CCN(CCn1cccn1)C(=O)CCN1Cc2ccccc2C1=O.
What is the InChIKey of N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is BAEWEEXUDIQTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-20(12-13-22-10-5-9-19-22)17(23)8-11-21-14-15-6-3-4-7-16(15)18(21)24/h3-7,9-10H,2,8,11-14H2,1H3.
What are the key properties of N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide?
N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 91777883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).