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

C11H18N4O — CID 53017251

IUPAC1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea
SMILESCCn1ccc(NC(=O)NC2CCCC2)n1
InChIInChI=1S/C11H18N4O/c1-2-15-8-7-10(14-15)13-11(16)12-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H2,12,13,14,16)
InChIKeyWVKHLHAADIBFPD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.97
Rot. Bonds3

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

1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea (PubChem CID 53017251) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea
PubChem CID53017251
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea
SMILESCCn1ccc(NC(=O)NC2CCCC2)n1
InChIInChI=1S/C11H18N4O/c1-2-15-8-7-10(14-15)13-11(16)12-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H2,12,13,14,16)
InChIKeyWVKHLHAADIBFPD-UHFFFAOYSA-N
XLogP1.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea (CID 53017251) is 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea is CCn1ccc(NC(=O)NC2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea?
The InChIKey is WVKHLHAADIBFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15-8-7-10(14-15)13-11(16)12-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea?
1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea has a molecular weight of 222.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-ethylpyrazol-3-yl)urea is sourced from PubChem (CID 53017251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).