1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C16H21FN4O — CID 71856864

IUPAC1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCc1cc(CNC(=O)NC(C)c2cnn(C)c2)cc(C)c1F
InChIInChI=1S/C16H21FN4O/c1-10-5-13(6-11(2)15(10)17)7-18-16(22)20-12(3)14-8-19-21(4)9-14/h5-6,8-9,12H,7H2,1-4H3,(H2,18,20,22)
InChIKeyWQZOCBAXUJXPOA-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.74
Rot. Bonds4

About 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 71856864) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID71856864
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCc1cc(CNC(=O)NC(C)c2cnn(C)c2)cc(C)c1F
InChIInChI=1S/C16H21FN4O/c1-10-5-13(6-11(2)15(10)17)7-18-16(22)20-12(3)14-8-19-21(4)9-14/h5-6,8-9,12H,7H2,1-4H3,(H2,18,20,22)
InChIKeyWQZOCBAXUJXPOA-UHFFFAOYSA-N
XLogP2.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)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-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 71856864) is 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is Cc1cc(CNC(=O)NC(C)c2cnn(C)c2)cc(C)c1F.
What is the InChIKey of 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is WQZOCBAXUJXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-10-5-13(6-11(2)15(10)17)7-18-16(22)20-12(3)14-8-19-21(4)9-14/h5-6,8-9,12H,7H2,1-4H3,(H2,18,20,22).
What are the key properties of 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 304.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 71856864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).