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

C17H14ClFN4O — CID 3455151

IUPAC1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H14ClFN4O/c18-13-2-1-3-15(8-13)21-17(24)22-16-9-20-23(11-16)10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,21,22,24)
InChIKeyRFKRWGHJULNSNJ-UHFFFAOYSA-N
MW344.78 g/mol
LogP4.37
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea (PubChem CID 3455151) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
PubChem CID3455151
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H14ClFN4O/c18-13-2-1-3-15(8-13)21-17(24)22-16-9-20-23(11-16)10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,21,22,24)
InChIKeyRFKRWGHJULNSNJ-UHFFFAOYSA-N
XLogP4.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea (CID 3455151) is 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is RFKRWGHJULNSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-13-2-1-3-15(8-13)21-17(24)22-16-9-20-23(11-16)10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,21,22,24).
What are the key properties of 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 344.78 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 3455151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).