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

C25H26N4O2 — CID 22176843

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide
SMILESCCCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C25H26N4O2/c1-2-5-20(24(30)26-23-14-22(27-28-23)17-8-9-17)16-10-12-19(13-11-16)29-15-18-6-3-4-7-21(18)25(29)31/h3-4,6-7,10-14,17,20H,2,5,8-9,15H2,1H3,(H2,26,27,28,30)
InChIKeyUSQUCMKZSLYPPF-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.97
Rot. Bonds7

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide (PubChem CID 22176843) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide
PubChem CID22176843
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide
SMILESCCCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C25H26N4O2/c1-2-5-20(24(30)26-23-14-22(27-28-23)17-8-9-17)16-10-12-19(13-11-16)29-15-18-6-3-4-7-21(18)25(29)31/h3-4,6-7,10-14,17,20H,2,5,8-9,15H2,1H3,(H2,26,27,28,30)
InChIKeyUSQUCMKZSLYPPF-UHFFFAOYSA-N
XLogP4.97
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide (CID 22176843) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide is CCCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide?
The InChIKey is USQUCMKZSLYPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-5-20(24(30)26-23-14-22(27-28-23)17-8-9-17)16-10-12-19(13-11-16)29-15-18-6-3-4-7-21(18)25(29)31/h3-4,6-7,10-14,17,20H,2,5,8-9,15H2,1H3,(H2,26,27,28,30).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide has a molecular weight of 414.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide is sourced from PubChem (CID 22176843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).