3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea

C16H28N4O — CID 53007930

IUPAC3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
SMILESCCn1nc(C)c(CCN(C)C(=O)NC2CCCC2)c1C
InChIInChI=1S/C16H28N4O/c1-5-20-13(3)15(12(2)18-20)10-11-19(4)16(21)17-14-8-6-7-9-14/h14H,5-11H2,1-4H3,(H,17,21)
InChIKeySBYFTZOGPMPFOA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.65
Rot. Bonds5

About 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea

3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea (PubChem CID 53007930) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
PubChem CID53007930
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
SMILESCCn1nc(C)c(CCN(C)C(=O)NC2CCCC2)c1C
InChIInChI=1S/C16H28N4O/c1-5-20-13(3)15(12(2)18-20)10-11-19(4)16(21)17-14-8-6-7-9-14/h14H,5-11H2,1-4H3,(H,17,21)
InChIKeySBYFTZOGPMPFOA-UHFFFAOYSA-N
XLogP2.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea (CID 53007930) is 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea is CCn1nc(C)c(CCN(C)C(=O)NC2CCCC2)c1C.
What is the InChIKey of 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The InChIKey is SBYFTZOGPMPFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-20-13(3)15(12(2)18-20)10-11-19(4)16(21)17-14-8-6-7-9-14/h14H,5-11H2,1-4H3,(H,17,21).
What are the key properties of 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea has a molecular weight of 292.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea is sourced from PubChem (CID 53007930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).