1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

C16H20N6O2 — CID 72888153

IUPAC1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCNC1=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C16H20N6O2/c23-15(17-8-10-21-11-9-18-16(21)24)20-14-6-7-19-22(14)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,18,24)(H2,17,20,23)
InChIKeyIESAMEMADINGKC-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.08
Rot. Bonds6

About 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (PubChem CID 72888153) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
PubChem CID72888153
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCNC1=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C16H20N6O2/c23-15(17-8-10-21-11-9-18-16(21)24)20-14-6-7-19-22(14)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,18,24)(H2,17,20,23)
InChIKeyIESAMEMADINGKC-UHFFFAOYSA-N
XLogP1.08
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (CID 72888153) is 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is O=C(NCCN1CCNC1=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is IESAMEMADINGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-15(17-8-10-21-11-9-18-16(21)24)20-14-6-7-19-22(14)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,18,24)(H2,17,20,23).
What are the key properties of 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 328.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 72888153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).