1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

C13H14ClFN4O2 — CID 86803926

IUPAC1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H14ClFN4O2/c1-21-7-6-19-5-4-12(18-19)17-13(20)16-11-8-9(15)2-3-10(11)14/h2-5,8H,6-7H2,1H3,(H2,16,17,18,20)
InChIKeySUUKPRRIKRYBEZ-UHFFFAOYSA-N
MW312.73 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (PubChem CID 86803926) has the molecular formula C13H14ClFN4O2 and a molecular weight of 312.73 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
PubChem CID86803926
Molecular FormulaC13H14ClFN4O2
Molecular Weight312.73 g/mol
Exact Mass312.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H14ClFN4O2/c1-21-7-6-19-5-4-12(18-19)17-13(20)16-11-8-9(15)2-3-10(11)14/h2-5,8H,6-7H2,1H3,(H2,16,17,18,20)
InChIKeySUUKPRRIKRYBEZ-UHFFFAOYSA-N
XLogP2.97
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]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-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (CID 86803926) is 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is COCCn1ccc(NC(=O)Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The InChIKey is SUUKPRRIKRYBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2/c1-21-7-6-19-5-4-12(18-19)17-13(20)16-11-8-9(15)2-3-10(11)14/h2-5,8H,6-7H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea has a molecular weight of 312.73 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 86803926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).