1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea

C9H16N4O2 — CID 75414853

IUPAC1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea
SMILESCOCCCNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C9H16N4O2/c1-13-7-8(6-11-13)12-9(14)10-4-3-5-15-2/h6-7H,3-5H2,1-2H3,(H2,10,12,14)
InChIKeyZTZTWCGSIJGRMI-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.58
Rot. Bonds5

About 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea

1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 75414853) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID75414853
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea
SMILESCOCCCNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C9H16N4O2/c1-13-7-8(6-11-13)12-9(14)10-4-3-5-15-2/h6-7H,3-5H2,1-2H3,(H2,10,12,14)
InChIKeyZTZTWCGSIJGRMI-UHFFFAOYSA-N
XLogP0.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea (CID 75414853) is 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea is COCCCNC(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is ZTZTWCGSIJGRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13-7-8(6-11-13)12-9(14)10-4-3-5-15-2/h6-7H,3-5H2,1-2H3,(H2,10,12,14).
What are the key properties of 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea?
1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 212.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 75414853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).