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

C23H22N4O2 — CID 5330955

IUPAC(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H22N4O2/c1-14(22(28)24-21-12-20(25-26-21)16-6-7-16)15-8-10-18(11-9-15)27-13-17-4-2-3-5-19(17)23(27)29/h2-5,8-12,14,16H,6-7,13H2,1H3,(H2,24,25,26,28)/t14-/m0/s1
InChIKeyOUFGAEIXDBKNPC-AWEZNQCLSA-N
MW386.46 g/mol
LogP4.19
Rot. Bonds5

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

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide (PubChem CID 5330955) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide
PubChem CID5330955
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H22N4O2/c1-14(22(28)24-21-12-20(25-26-21)16-6-7-16)15-8-10-18(11-9-15)27-13-17-4-2-3-5-19(17)23(27)29/h2-5,8-12,14,16H,6-7,13H2,1H3,(H2,24,25,26,28)/t14-/m0/s1
InChIKeyOUFGAEIXDBKNPC-AWEZNQCLSA-N
XLogP4.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide (CID 5330955) is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The canonical SMILES for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide is C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The InChIKey is OUFGAEIXDBKNPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14(22(28)24-21-12-20(25-26-21)16-6-7-16)15-8-10-18(11-9-15)27-13-17-4-2-3-5-19(17)23(27)29/h2-5,8-12,14,16H,6-7,13H2,1H3,(H2,24,25,26,28)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide has a molecular weight of 386.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide is sourced from PubChem (CID 5330955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).