1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea

C16H24N4O — CID 71602996

IUPAC1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea
SMILESCCn1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H24N4O/c1-2-20-4-3-14(19-20)17-15(21)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h3-4,11-13H,2,5-10H2,1H3,(H2,17,18,19,21)
InChIKeyWSAMRZBXLGSLBA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.99
Rot. Bonds3

About 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea

1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea (PubChem CID 71602996) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea
PubChem CID71602996
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea
SMILESCCn1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H24N4O/c1-2-20-4-3-14(19-20)17-15(21)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h3-4,11-13H,2,5-10H2,1H3,(H2,17,18,19,21)
InChIKeyWSAMRZBXLGSLBA-UHFFFAOYSA-N
XLogP2.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea (CID 71602996) is 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea is CCn1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea?
The InChIKey is WSAMRZBXLGSLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-20-4-3-14(19-20)17-15(21)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h3-4,11-13H,2,5-10H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea?
1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea has a molecular weight of 288.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(1-ethylpyrazol-3-yl)urea is sourced from PubChem (CID 71602996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).