1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C11H17N5O2 — CID 60617048

IUPAC1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCn1ccc(NC(=O)NCC(=O)N2CCCC2)n1
InChIInChI=1S/C11H17N5O2/c1-15-7-4-9(14-15)13-11(18)12-8-10(17)16-5-2-3-6-16/h4,7H,2-3,5-6,8H2,1H3,(H2,12,13,14,18)
InChIKeyTYFUHIXGCGVGDK-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.16
Rot. Bonds3

About 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 60617048) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID60617048
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCn1ccc(NC(=O)NCC(=O)N2CCCC2)n1
InChIInChI=1S/C11H17N5O2/c1-15-7-4-9(14-15)13-11(18)12-8-10(17)16-5-2-3-6-16/h4,7H,2-3,5-6,8H2,1H3,(H2,12,13,14,18)
InChIKeyTYFUHIXGCGVGDK-UHFFFAOYSA-N
XLogP0.16
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 60617048) is 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is Cn1ccc(NC(=O)NCC(=O)N2CCCC2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is TYFUHIXGCGVGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-15-7-4-9(14-15)13-11(18)12-8-10(17)16-5-2-3-6-16/h4,7H,2-3,5-6,8H2,1H3,(H2,12,13,14,18).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 251.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 60617048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).