1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea

C17H14F2N4O2 — CID 23139467

IUPAC1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccn[nH]1
InChIInChI=1S/C17H14F2N4O2/c1-25-16-5-3-11(9-12(16)14-6-7-20-23-14)21-17(24)22-15-4-2-10(18)8-13(15)19/h2-9H,1H3,(H,20,23)(H2,21,22,24)
InChIKeyWDCATRUABRXGNV-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.01
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea

1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 23139467) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID23139467
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccn[nH]1
InChIInChI=1S/C17H14F2N4O2/c1-25-16-5-3-11(9-12(16)14-6-7-20-23-14)21-17(24)22-15-4-2-10(18)8-13(15)19/h2-9H,1H3,(H,20,23)(H2,21,22,24)
InChIKeyWDCATRUABRXGNV-UHFFFAOYSA-N
XLogP4.01
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

Nelotanserin
CID 11683556
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3,5-difluoro-phenyl)urea
CID 11154832
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-cyano-phenyl)-urea
CID 11258838
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-bromo-phenyl)-urea
CID 11294575
1-(3,5-Bis-trifluoromethyl-phenyl)-3-[3-(4-chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-urea
CID 11363880
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-trifluoromethyl-phenyl)urea
CID 11374796
1-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11429246
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2-fluoro-phenyl)-urea
CID 11531833
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-fluoro-phenyl)-urea
CID 11567937
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-isopropyl-phenyl)urea
CID 11604671
1-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3,4-difluoro-phenyl)-urea
CID 11625339
1-(3,5-Bis-trifluoromethyl-phenyl)-3-[3-(4-bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-urea
CID 11656729

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea (CID 23139467) is 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea is COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccn[nH]1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is WDCATRUABRXGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-25-16-5-3-11(9-12(16)14-6-7-20-23-14)21-17(24)22-15-4-2-10(18)8-13(15)19/h2-9H,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea?
1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 344.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-methoxy-3-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 23139467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).