2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide

C17H18N4O3 — CID 32603541

IUPAC2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C)c3)cc2C1=O
InChIInChI=1S/C17H18N4O3/c1-3-4-7-21-16(23)13-6-5-11(8-14(13)17(21)24)15(22)19-12-9-18-20(2)10-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,22)
InChIKeySTFHFQMXAIUPMZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.07
Rot. Bonds5

About 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 32603541) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID32603541
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C)c3)cc2C1=O
InChIInChI=1S/C17H18N4O3/c1-3-4-7-21-16(23)13-6-5-11(8-14(13)17(21)24)15(22)19-12-9-18-20(2)10-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,22)
InChIKeySTFHFQMXAIUPMZ-UHFFFAOYSA-N
XLogP2.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.07
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

N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 52898449
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 27160971
2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide
CID 60525217
N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 29260316
N-(4-acetamido-3-chlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 25469263
2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 26252592
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-1,3-dioxo-N-[3-(thiophene-2-carbonylamino)phenyl]isoindole-5-carboxamide
CID 31520702

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide (CID 32603541) is 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3cnn(C)c3)cc2C1=O.
What is the InChIKey of 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is STFHFQMXAIUPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-4-7-21-16(23)13-6-5-11(8-14(13)17(21)24)15(22)19-12-9-18-20(2)10-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,22).
What are the key properties of 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 32603541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).