N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C18H18N4O3 — CID 112761644

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C1CC1)n1nccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N4O3/c1-11(12-6-7-12)22-15(8-9-19-22)20-16(23)10-21-17(24)13-4-2-3-5-14(13)18(21)25/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,20,23)
InChIKeyFGXBLXXDOYCBKN-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 112761644) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID112761644
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C1CC1)n1nccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N4O3/c1-11(12-6-7-12)22-15(8-9-19-22)20-16(23)10-21-17(24)13-4-2-3-5-14(13)18(21)25/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,20,23)
InChIKeyFGXBLXXDOYCBKN-UHFFFAOYSA-N
XLogP2.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.09
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-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 78778329
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]acetamide
CID 136558389
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 56510286
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 112771337
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 98157374
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
CID 124778693
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504018
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111461999

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 112761644) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(C1CC1)n1nccc1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FGXBLXXDOYCBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(12-6-7-12)22-15(8-9-19-22)20-16(23)10-21-17(24)13-4-2-3-5-14(13)18(21)25/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,20,23).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 112761644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).