1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea

C11H17BrN4O2 — CID 58213381

IUPAC1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea
SMILESCn1nc(NC(=O)NCCOCC2CC2)cc1Br
InChIInChI=1S/C11H17BrN4O2/c1-16-9(12)6-10(15-16)14-11(17)13-4-5-18-7-8-2-3-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyYNORSZALTDYEIU-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.73
Rot. Bonds6

About 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea

1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea (PubChem CID 58213381) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea
PubChem CID58213381
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea
SMILESCn1nc(NC(=O)NCCOCC2CC2)cc1Br
InChIInChI=1S/C11H17BrN4O2/c1-16-9(12)6-10(15-16)14-11(17)13-4-5-18-7-8-2-3-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyYNORSZALTDYEIU-UHFFFAOYSA-N
XLogP1.73
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]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-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea?
The IUPAC name of 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea (CID 58213381) is 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea.
What is the SMILES notation for 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea?
The canonical SMILES for 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea is Cn1nc(NC(=O)NCCOCC2CC2)cc1Br.
What is the InChIKey of 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea?
The InChIKey is YNORSZALTDYEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-16-9(12)6-10(15-16)14-11(17)13-4-5-18-7-8-2-3-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,17).
What are the key properties of 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea?
1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea has a molecular weight of 317.19 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea is sourced from PubChem (CID 58213381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).