1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

C13H20N6O2 — CID 72837841

IUPAC1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESCn1nc(C2CC2)cc1NC(=O)NCCN1CCNC1=O
InChIInChI=1S/C13H20N6O2/c1-18-11(8-10(17-18)9-2-3-9)16-12(20)14-4-6-19-7-5-15-13(19)21/h8-9H,2-7H2,1H3,(H,15,21)(H2,14,16,20)
InChIKeyLDQIQRIEMATHKS-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.44
Rot. Bonds5

About 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (PubChem CID 72837841) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
PubChem CID72837841
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESCn1nc(C2CC2)cc1NC(=O)NCCN1CCNC1=O
InChIInChI=1S/C13H20N6O2/c1-18-11(8-10(17-18)9-2-3-9)16-12(20)14-4-6-19-7-5-15-13(19)21/h8-9H,2-7H2,1H3,(H,15,21)(H2,14,16,20)
InChIKeyLDQIQRIEMATHKS-UHFFFAOYSA-N
XLogP0.44
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (CID 72837841) is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is Cn1nc(C2CC2)cc1NC(=O)NCCN1CCNC1=O.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is LDQIQRIEMATHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-18-11(8-10(17-18)9-2-3-9)16-12(20)14-4-6-19-7-5-15-13(19)21/h8-9H,2-7H2,1H3,(H,15,21)(H2,14,16,20).
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 292.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 72837841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).