4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile

C19H19N5O2 — CID 102563152

IUPAC4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile
SMILESCc1c(C(C)N2C(=O)NC(C3CC3)C2=O)cnn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H19N5O2/c1-11(23-18(25)17(14-5-6-14)22-19(23)26)16-10-21-24(12(16)2)15-7-3-13(9-20)4-8-15/h3-4,7-8,10-11,14,17H,5-6H2,1-2H3,(H,22,26)
InChIKeyBIKVMMKPSRCCCG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.44
Rot. Bonds4

About 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile

4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile (PubChem CID 102563152) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile
PubChem CID102563152
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile
SMILESCc1c(C(C)N2C(=O)NC(C3CC3)C2=O)cnn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H19N5O2/c1-11(23-18(25)17(14-5-6-14)22-19(23)26)16-10-21-24(12(16)2)15-7-3-13(9-20)4-8-15/h3-4,7-8,10-11,14,17H,5-6H2,1-2H3,(H,22,26)
InChIKeyBIKVMMKPSRCCCG-UHFFFAOYSA-N
XLogP2.44
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile?
The IUPAC name of 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile (CID 102563152) is 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile is Cc1c(C(C)N2C(=O)NC(C3CC3)C2=O)cnn1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile?
The InChIKey is BIKVMMKPSRCCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11(23-18(25)17(14-5-6-14)22-19(23)26)16-10-21-24(12(16)2)15-7-3-13(9-20)4-8-15/h3-4,7-8,10-11,14,17H,5-6H2,1-2H3,(H,22,26).
What are the key properties of 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile?
4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-cyclopropyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5-methylpyrazol-1-yl]benzonitrile is sourced from PubChem (CID 102563152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).