1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea

C17H15FN4O — CID 2815276

IUPAC1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O/c1-22-16(11-15(21-22)12-5-3-2-4-6-12)20-17(23)19-14-9-7-13(18)8-10-14/h2-11H,1H3,(H2,19,20,23)
InChIKeyIRNFLRZZSCRLSQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.87
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea

1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea (PubChem CID 2815276) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
PubChem CID2815276
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O/c1-22-16(11-15(21-22)12-5-3-2-4-6-12)20-17(23)19-14-9-7-13(18)8-10-14/h2-11H,1H3,(H2,19,20,23)
InChIKeyIRNFLRZZSCRLSQ-UHFFFAOYSA-N
XLogP3.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea (CID 2815276) is 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea is Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The InChIKey is IRNFLRZZSCRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-22-16(11-15(21-22)12-5-3-2-4-6-12)20-17(23)19-14-9-7-13(18)8-10-14/h2-11H,1H3,(H2,19,20,23).
What are the key properties of 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea has a molecular weight of 310.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 2815276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).