1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea

C19H17FN4O2 — CID 2211672

IUPAC1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C19H17FN4O2/c1-13(25)15-3-2-4-17(9-15)22-19(26)23-18-10-21-24(12-18)11-14-5-7-16(20)8-6-14/h2-10,12H,11H2,1H3,(H2,22,23,26)
InChIKeyOPBGENHAJDEULH-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.92
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea

1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea (PubChem CID 2211672) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
PubChem CID2211672
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C19H17FN4O2/c1-13(25)15-3-2-4-17(9-15)22-19(26)23-18-10-21-24(12-18)11-14-5-7-16(20)8-6-14/h2-10,12H,11H2,1H3,(H2,22,23,26)
InChIKeyOPBGENHAJDEULH-UHFFFAOYSA-N
XLogP3.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea (CID 2211672) is 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is OPBGENHAJDEULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13(25)15-3-2-4-17(9-15)22-19(26)23-18-10-21-24(12-18)11-14-5-7-16(20)8-6-14/h2-10,12H,11H2,1H3,(H2,22,23,26).
What are the key properties of 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 352.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 2211672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).