1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea

C12H13FN4O — CID 2811435

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
SMILESCc1nn(C)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c1-8-11(7-17(2)16-8)15-12(18)14-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H2,14,15,18)
InChIKeyGZDYOTCSJIWHGE-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.51
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea

1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea (PubChem CID 2811435) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
PubChem CID2811435
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
SMILESCc1nn(C)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c1-8-11(7-17(2)16-8)15-12(18)14-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H2,14,15,18)
InChIKeyGZDYOTCSJIWHGE-UHFFFAOYSA-N
XLogP2.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)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-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 102807086
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-3-fluorobenzoic acid
CID 102806561
1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132441
1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
1-(4-chlorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 2807795
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
CID 102806777
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 102806241
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805280

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea (CID 2811435) is 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea is Cc1nn(C)cc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea?
The InChIKey is GZDYOTCSJIWHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8-11(7-17(2)16-8)15-12(18)14-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H2,14,15,18).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea?
1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea has a molecular weight of 248.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2811435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).