N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide

C19H24N4O3 — CID 42906833

IUPACN-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)C2CC=CCC2C1=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H24N4O3/c24-17(21-16-9-11-20-23(16)13-5-1-2-6-13)10-12-22-18(25)14-7-3-4-8-15(14)19(22)26/h3-4,9,11,13-15H,1-2,5-8,10,12H2,(H,21,24)
InChIKeyQAUDAXKLUJYONF-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.28
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide

N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide (PubChem CID 42906833) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
PubChem CID42906833
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)C2CC=CCC2C1=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H24N4O3/c24-17(21-16-9-11-20-23(16)13-5-1-2-6-13)10-12-22-18(25)14-7-3-4-8-15(14)19(22)26/h3-4,9,11,13-15H,1-2,5-8,10,12H2,(H,21,24)
InChIKeyQAUDAXKLUJYONF-UHFFFAOYSA-N
XLogP2.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
N-(1-{1-[2-(1H-pyrazol-1-yl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 25381393
N-(1-{1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 26405004
N-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 71942007
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30183730
N-(1-{1-[(1R*,2R*,4R*)-bicyclo[2.2.1]hept-5-en-2-ylcarbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-methylbutanamide
CID 42193242
N-{1-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 42594598
1-(2,3-dimethylcyclohexyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916132
N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 45214742
N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-methylbutanamide
CID 45231713
1-cyclopentyl-N-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
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N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide (CID 42906833) is N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide is O=C(CCN1C(=O)C2CC=CCC2C1=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The InChIKey is QAUDAXKLUJYONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17(21-16-9-11-20-23(16)13-5-1-2-6-13)10-12-22-18(25)14-7-3-4-8-15(14)19(22)26/h3-4,9,11,13-15H,1-2,5-8,10,12H2,(H,21,24).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide has a molecular weight of 356.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide is sourced from PubChem (CID 42906833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).