1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

C15H19FN4O — CID 71856953

IUPAC1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCc1cc(F)ccc1CCNC(=O)NCc1cnn(C)c1
InChIInChI=1S/C15H19FN4O/c1-11-7-14(16)4-3-13(11)5-6-17-15(21)18-8-12-9-19-20(2)10-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H2,17,18,21)
InChIKeyVJUKHJAFVQYHPX-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 71856953) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID71856953
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCc1cc(F)ccc1CCNC(=O)NCc1cnn(C)c1
InChIInChI=1S/C15H19FN4O/c1-11-7-14(16)4-3-13(11)5-6-17-15(21)18-8-12-9-19-20(2)10-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H2,17,18,21)
InChIKeyVJUKHJAFVQYHPX-UHFFFAOYSA-N
XLogP1.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]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

(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936507
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(5-fluoro-2-methylphenyl)methyl]urea
CID 166331306
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485
2-(4-fluoro-2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 114347242
(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 96559898
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 111334591
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71869958
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111230418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 71856953) is 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is Cc1cc(F)ccc1CCNC(=O)NCc1cnn(C)c1.
What is the InChIKey of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is VJUKHJAFVQYHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-11-7-14(16)4-3-13(11)5-6-17-15(21)18-8-12-9-19-20(2)10-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 290.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 71856953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).