1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea

C17H18FN7O — CID 47000825

IUPAC1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
SMILESCc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1F
InChIInChI=1S/C17H18FN7O/c1-12-3-4-13(11-14(12)18)22-17(26)20-9-8-19-15-5-6-16(24-23-15)25-10-2-7-21-25/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H2,20,22,26)
InChIKeyLLUHFCYWVMFPGF-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.34
Rot. Bonds6

About 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea

1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea (PubChem CID 47000825) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
PubChem CID47000825
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
SMILESCc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1F
InChIInChI=1S/C17H18FN7O/c1-12-3-4-13(11-14(12)18)22-17(26)20-9-8-19-15-5-6-16(24-23-15)25-10-2-7-21-25/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H2,20,22,26)
InChIKeyLLUHFCYWVMFPGF-UHFFFAOYSA-N
XLogP2.34
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]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

Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 71799952
1-(3-fluoro-4-methylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065120
1-(3-chloro-4-methylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307308
1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122292682
1-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-(3-methylsulfanylphenyl)urea
CID 122327145
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
1-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122292701
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
(E)-3-(2-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]prop-2-enamide
CID 122292858

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea (CID 47000825) is 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea is Cc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea?
The InChIKey is LLUHFCYWVMFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-12-3-4-13(11-14(12)18)22-17(26)20-9-8-19-15-5-6-16(24-23-15)25-10-2-7-21-25/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H2,20,22,26).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea has a molecular weight of 355.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea is sourced from PubChem (CID 47000825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).