1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea

C13H22N4O2 — CID 99833385

IUPAC1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCCOC1CC(CCNC(=O)Nc2cnn(C)c2)C1
InChIInChI=1S/C13H22N4O2/c1-3-19-12-6-10(7-12)4-5-14-13(18)16-11-8-15-17(2)9-11/h8-10,12H,3-7H2,1-2H3,(H2,14,16,18)
InChIKeyRTMSXEIWDRPECL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea

1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 99833385) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID99833385
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCCOC1CC(CCNC(=O)Nc2cnn(C)c2)C1
InChIInChI=1S/C13H22N4O2/c1-3-19-12-6-10(7-12)4-5-14-13(18)16-11-8-15-17(2)9-11/h8-10,12H,3-7H2,1-2H3,(H2,14,16,18)
InChIKeyRTMSXEIWDRPECL-UHFFFAOYSA-N
XLogP1.75
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea (CID 99833385) is 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea is CCOC1CC(CCNC(=O)Nc2cnn(C)c2)C1.
What is the InChIKey of 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is RTMSXEIWDRPECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-19-12-6-10(7-12)4-5-14-13(18)16-11-8-15-17(2)9-11/h8-10,12H,3-7H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea?
1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 99833385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).