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

C13H22N4O2 — CID 51084749

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCc1cnn(C)c1)C1CCCO1
InChIInChI=1S/C13H22N4O2/c1-10(12-4-3-7-19-12)16-13(18)14-6-5-11-8-15-17(2)9-11/h8-10,12H,3-7H2,1-2H3,(H2,14,16,18)
InChIKeyPNAPQTTZZRIFJM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.83
Rot. Bonds5

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

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 51084749) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID51084749
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCc1cnn(C)c1)C1CCCO1
InChIInChI=1S/C13H22N4O2/c1-10(12-4-3-7-19-12)16-13(18)14-6-5-11-8-15-17(2)9-11/h8-10,12H,3-7H2,1-2H3,(H2,14,16,18)
InChIKeyPNAPQTTZZRIFJM-UHFFFAOYSA-N
XLogP0.83
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 51084749) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NCCc1cnn(C)c1)C1CCCO1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is PNAPQTTZZRIFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(12-4-3-7-19-12)16-13(18)14-6-5-11-8-15-17(2)9-11/h8-10,12H,3-7H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 266.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 51084749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).