N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide

C23H22N4O3 — CID 10272456

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)c3ccccc3C2O)cc1
InChIInChI=1S/C23H22N4O3/c1-13(21(28)24-20-12-19(25-26-20)15-6-7-15)14-8-10-16(11-9-14)27-22(29)17-4-2-3-5-18(17)23(27)30/h2-5,8-13,15,22,29H,6-7H2,1H3,(H2,24,25,26,28)
InChIKeyMNXROPBUHFDMDX-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.68
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide (PubChem CID 10272456) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide
PubChem CID10272456
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)c3ccccc3C2O)cc1
InChIInChI=1S/C23H22N4O3/c1-13(21(28)24-20-12-19(25-26-20)15-6-7-15)14-8-10-16(11-9-14)27-22(29)17-4-2-3-5-18(17)23(27)30/h2-5,8-13,15,22,29H,6-7H2,1H3,(H2,24,25,26,28)
InChIKeyMNXROPBUHFDMDX-UHFFFAOYSA-N
XLogP3.68
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide (CID 10272456) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)c3ccccc3C2O)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The InChIKey is MNXROPBUHFDMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-13(21(28)24-20-12-19(25-26-20)15-6-7-15)14-8-10-16(11-9-14)27-22(29)17-4-2-3-5-18(17)23(27)30/h2-5,8-13,15,22,29H,6-7H2,1H3,(H2,24,25,26,28).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide has a molecular weight of 402.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]propanamide is sourced from PubChem (CID 10272456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).