1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

C15H25N5O2 — CID 51083066

IUPAC1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C15H25N5O2/c1-13(12-20-10-5-7-17-20)18-15(22)16-8-11-19-9-4-2-3-6-14(19)21/h5,7,10,13H,2-4,6,8-9,11-12H2,1H3,(H2,16,18,22)
InChIKeyUURVKDOWGYIBFK-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.97
Rot. Bonds6

About 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 51083066) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID51083066
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C15H25N5O2/c1-13(12-20-10-5-7-17-20)18-15(22)16-8-11-19-9-4-2-3-6-14(19)21/h5,7,10,13H,2-4,6,8-9,11-12H2,1H3,(H2,16,18,22)
InChIKeyUURVKDOWGYIBFK-UHFFFAOYSA-N
XLogP0.97
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 51083066) is 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)NCCN1CCCCCC1=O.
What is the InChIKey of 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is UURVKDOWGYIBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-13(12-20-10-5-7-17-20)18-15(22)16-8-11-19-9-4-2-3-6-14(19)21/h5,7,10,13H,2-4,6,8-9,11-12H2,1H3,(H2,16,18,22).
What are the key properties of 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 307.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 51083066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).