1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea

C11H20N4O2 — CID 72837792

IUPAC1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-9(2)17-6-4-5-12-11(16)14-10-7-13-15(3)8-10/h7-9H,4-6H2,1-3H3,(H2,12,14,16)
InChIKeyNXUJRZWFIJWIDI-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.36
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea

1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea (PubChem CID 72837792) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea
PubChem CID72837792
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-9(2)17-6-4-5-12-11(16)14-10-7-13-15(3)8-10/h7-9H,4-6H2,1-3H3,(H2,12,14,16)
InChIKeyNXUJRZWFIJWIDI-UHFFFAOYSA-N
XLogP1.36
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea (CID 72837792) is 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea is CC(C)OCCCNC(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea?
The InChIKey is NXUJRZWFIJWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(2)17-6-4-5-12-11(16)14-10-7-13-15(3)8-10/h7-9H,4-6H2,1-3H3,(H2,12,14,16).
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea?
1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea has a molecular weight of 240.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxypropyl)urea is sourced from PubChem (CID 72837792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).