N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide

C14H17N5O2S — CID 86266277

IUPACN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)N1CCNC1=O
InChIInChI=1S/C14H17N5O2S/c1-10-9-11(12-3-2-8-22-12)17-19(10)7-5-16-14(21)18-6-4-15-13(18)20/h2-3,8-9H,4-7H2,1H3,(H,15,20)(H,16,21)
InChIKeyJPCXUUOOWYVRND-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.65
Rot. Bonds4

About N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide

N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 86266277) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID86266277
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)N1CCNC1=O
InChIInChI=1S/C14H17N5O2S/c1-10-9-11(12-3-2-8-22-12)17-19(10)7-5-16-14(21)18-6-4-15-13(18)20/h2-3,8-9H,4-7H2,1H3,(H,15,20)(H,16,21)
InChIKeyJPCXUUOOWYVRND-UHFFFAOYSA-N
XLogP1.65
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide (CID 86266277) is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide is Cc1cc(-c2cccs2)nn1CCNC(=O)N1CCNC1=O.
What is the InChIKey of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is JPCXUUOOWYVRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-10-9-11(12-3-2-8-22-12)17-19(10)7-5-16-14(21)18-6-4-15-13(18)20/h2-3,8-9H,4-7H2,1H3,(H,15,20)(H,16,21).
What are the key properties of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide?
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 86266277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).