N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide

C16H17ClN4O3 — CID 126820828

IUPACN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCc1[nH]nc(NC(=O)C(C)(O)CN2Cc3ccccc3C2=O)c1Cl
InChIInChI=1S/C16H17ClN4O3/c1-9-12(17)13(20-19-9)18-15(23)16(2,24)8-21-7-10-5-3-4-6-11(10)14(21)22/h3-6,24H,7-8H2,1-2H3,(H2,18,19,20,23)
InChIKeyVQTWEFKASHHBCZ-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.72
Rot. Bonds4

About N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide

N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 126820828) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID126820828
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCc1[nH]nc(NC(=O)C(C)(O)CN2Cc3ccccc3C2=O)c1Cl
InChIInChI=1S/C16H17ClN4O3/c1-9-12(17)13(20-19-9)18-15(23)16(2,24)8-21-7-10-5-3-4-6-11(10)14(21)22/h3-6,24H,7-8H2,1-2H3,(H2,18,19,20,23)
InChIKeyVQTWEFKASHHBCZ-UHFFFAOYSA-N
XLogP1.72
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 126820828) is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide is Cc1[nH]nc(NC(=O)C(C)(O)CN2Cc3ccccc3C2=O)c1Cl.
What is the InChIKey of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is VQTWEFKASHHBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-9-12(17)13(20-19-9)18-15(23)16(2,24)8-21-7-10-5-3-4-6-11(10)14(21)22/h3-6,24H,7-8H2,1-2H3,(H2,18,19,20,23).
What are the key properties of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide?
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 348.79 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 126820828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).