3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide

C22H30N4O3 — CID 163572471

IUPAC3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
SMILESCOCCn1ccc(NC(=O)C(CC2CCCC2)N2Cc3ccccc3C2O)n1
InChIInChI=1S/C22H30N4O3/c1-29-13-12-25-11-10-20(24-25)23-21(27)19(14-16-6-2-3-7-16)26-15-17-8-4-5-9-18(17)22(26)28/h4-5,8-11,16,19,22,28H,2-3,6-7,12-15H2,1H3,(H,23,24,27)
InChIKeyGAOWFKWBYWERAP-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.92
Rot. Bonds8

About 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide

3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide (PubChem CID 163572471) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
PubChem CID163572471
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
SMILESCOCCn1ccc(NC(=O)C(CC2CCCC2)N2Cc3ccccc3C2O)n1
InChIInChI=1S/C22H30N4O3/c1-29-13-12-25-11-10-20(24-25)23-21(27)19(14-16-6-2-3-7-16)26-15-17-8-4-5-9-18(17)22(26)28/h4-5,8-11,16,19,22,28H,2-3,6-7,12-15H2,1H3,(H,23,24,27)
InChIKeyGAOWFKWBYWERAP-UHFFFAOYSA-N
XLogP2.92
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide (CID 163572471) is 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide is COCCn1ccc(NC(=O)C(CC2CCCC2)N2Cc3ccccc3C2O)n1.
What is the InChIKey of 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide?
The InChIKey is GAOWFKWBYWERAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-29-13-12-25-11-10-20(24-25)23-21(27)19(14-16-6-2-3-7-16)26-15-17-8-4-5-9-18(17)22(26)28/h4-5,8-11,16,19,22,28H,2-3,6-7,12-15H2,1H3,(H,23,24,27).
What are the key properties of 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide?
3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide has a molecular weight of 398.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 163572471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).