N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide

C19H22N4O4 — CID 52898449

IUPACN-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
SMILESCC(C)OCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C)c3)cc2C1=O
InChIInChI=1S/C19H22N4O4/c1-12(2)27-8-4-7-23-18(25)15-6-5-13(9-16(15)19(23)26)17(24)21-14-10-20-22(3)11-14/h5-6,9-12H,4,7-8H2,1-3H3,(H,21,24)
InChIKeyINBDRCGKEIPKII-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.08
Rot. Bonds7

About N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide

N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide (PubChem CID 52898449) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
PubChem CID52898449
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
SMILESCC(C)OCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C)c3)cc2C1=O
InChIInChI=1S/C19H22N4O4/c1-12(2)27-8-4-7-23-18(25)15-6-5-13(9-16(15)19(23)26)17(24)21-14-10-20-22(3)11-14/h5-6,9-12H,4,7-8H2,1-3H3,(H,21,24)
InChIKeyINBDRCGKEIPKII-UHFFFAOYSA-N
XLogP2.08
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
2-(3-methoxypropyl)-1,3-dioxo-N-[4-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925012
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
2-butyl-1,3-dioxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 24509689
2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 4594385
2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 31306194
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470489
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470488

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide (CID 52898449) is N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide is CC(C)OCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C)c3)cc2C1=O.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide?
The InChIKey is INBDRCGKEIPKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12(2)27-8-4-7-23-18(25)15-6-5-13(9-16(15)19(23)26)17(24)21-14-10-20-22(3)11-14/h5-6,9-12H,4,7-8H2,1-3H3,(H,21,24).
What are the key properties of N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide?
N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide is sourced from PubChem (CID 52898449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).