1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

C15H26N4O — CID 47069473

IUPAC1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)NCCC1CCCC1)Cn1cccn1
InChIInChI=1S/C15H26N4O/c1-13(12-19-10-4-8-18-19)11-17-15(20)16-9-7-14-5-2-3-6-14/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3,(H2,16,17,20)
InChIKeyAMGIDXHTSRODGZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.40
Rot. Bonds7

About 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (PubChem CID 47069473) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
PubChem CID47069473
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)NCCC1CCCC1)Cn1cccn1
InChIInChI=1S/C15H26N4O/c1-13(12-19-10-4-8-18-19)11-17-15(20)16-9-7-14-5-2-3-6-14/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3,(H2,16,17,20)
InChIKeyAMGIDXHTSRODGZ-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (CID 47069473) is 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is CC(CNC(=O)NCCC1CCCC1)Cn1cccn1.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The InChIKey is AMGIDXHTSRODGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(12-19-10-4-8-18-19)11-17-15(20)16-9-7-14-5-2-3-6-14/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 47069473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).