N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C14H18N4O3 — CID 71808566

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCn1nc(CNC(=O)CN2C(=O)CCC2=O)cc1C1CC1
InChIInChI=1S/C14H18N4O3/c1-17-11(9-2-3-9)6-10(16-17)7-15-12(19)8-18-13(20)4-5-14(18)21/h6,9H,2-5,7-8H2,1H3,(H,15,19)
InChIKeyZMMWMDVSCWLYAX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.06
Rot. Bonds5

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 71808566) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID71808566
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCn1nc(CNC(=O)CN2C(=O)CCC2=O)cc1C1CC1
InChIInChI=1S/C14H18N4O3/c1-17-11(9-2-3-9)6-10(16-17)7-15-12(19)8-18-13(20)4-5-14(18)21/h6,9H,2-5,7-8H2,1H3,(H,15,19)
InChIKeyZMMWMDVSCWLYAX-UHFFFAOYSA-N
XLogP0.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 71808566) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is Cn1nc(CNC(=O)CN2C(=O)CCC2=O)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is ZMMWMDVSCWLYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-17-11(9-2-3-9)6-10(16-17)7-15-12(19)8-18-13(20)4-5-14(18)21/h6,9H,2-5,7-8H2,1H3,(H,15,19).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 71808566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).