(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide

C24H32N4O3 — CID 70674450

IUPAC(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
SMILESCC(C)OCCn1ccc(NC(=O)[C@H](CC2CCCC2)N2Cc3ccccc3C2=O)n1
InChIInChI=1S/C24H32N4O3/c1-17(2)31-14-13-27-12-11-22(26-27)25-23(29)21(15-18-7-3-4-8-18)28-16-19-9-5-6-10-20(19)24(28)30/h5-6,9-12,17-18,21H,3-4,7-8,13-16H2,1-2H3,(H,25,26,29)/t21-/m0/s1
InChIKeyNTOCTSZZSJFUHV-NRFANRHFSA-N
MW424.55 g/mol
LogP3.85
Rot. Bonds9

About (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide

(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide (PubChem CID 70674450) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
PubChem CID70674450
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
SMILESCC(C)OCCn1ccc(NC(=O)[C@H](CC2CCCC2)N2Cc3ccccc3C2=O)n1
InChIInChI=1S/C24H32N4O3/c1-17(2)31-14-13-27-12-11-22(26-27)25-23(29)21(15-18-7-3-4-8-18)28-16-19-9-5-6-10-20(19)24(28)30/h5-6,9-12,17-18,21H,3-4,7-8,13-16H2,1-2H3,(H,25,26,29)/t21-/m0/s1
InChIKeyNTOCTSZZSJFUHV-NRFANRHFSA-N
XLogP3.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide (CID 70674450) is (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide is CC(C)OCCn1ccc(NC(=O)[C@H](CC2CCCC2)N2Cc3ccccc3C2=O)n1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The InChIKey is NTOCTSZZSJFUHV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-17(2)31-14-13-27-12-11-22(26-27)25-23(29)21(15-18-7-3-4-8-18)28-16-19-9-5-6-10-20(19)24(28)30/h5-6,9-12,17-18,21H,3-4,7-8,13-16H2,1-2H3,(H,25,26,29)/t21-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 70674450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).