N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide

C19H26N4O3 — CID 78772114

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C19H26N4O3/c24-17(12-22-18(25)14-8-4-5-9-15(14)19(22)26)21-16-10-11-20-23(16)13-6-2-1-3-7-13/h10-11,13-15H,1-9,12H2,(H,21,24)
InChIKeyGZKWPYPKIDQXEM-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.50
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide

N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide (PubChem CID 78772114) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
PubChem CID78772114
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C19H26N4O3/c24-17(12-22-18(25)14-8-4-5-9-15(14)19(22)26)21-16-10-11-20-23(16)13-6-2-1-3-7-13/h10-11,13-15H,1-9,12H2,(H,21,24)
InChIKeyGZKWPYPKIDQXEM-UHFFFAOYSA-N
XLogP2.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide (CID 78772114) is N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide is O=C(CN1C(=O)C2CCCCC2C1=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The InChIKey is GZKWPYPKIDQXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17(12-22-18(25)14-8-4-5-9-15(14)19(22)26)21-16-10-11-20-23(16)13-6-2-1-3-7-13/h10-11,13-15H,1-9,12H2,(H,21,24).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide is sourced from PubChem (CID 78772114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).