1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea

C17H13F3N4O — CID 2955816

IUPAC1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H13F3N4O/c18-12-5-6-15(14(20)9-12)21-17(25)22-16-7-8-24(23-16)10-11-3-1-2-4-13(11)19/h1-9H,10H2,(H2,21,22,23,25)
InChIKeyOSZHGSABJOTGND-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.99
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea

1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea (PubChem CID 2955816) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea
PubChem CID2955816
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H13F3N4O/c18-12-5-6-15(14(20)9-12)21-17(25)22-16-7-8-24(23-16)10-11-3-1-2-4-13(11)19/h1-9H,10H2,(H2,21,22,23,25)
InChIKeyOSZHGSABJOTGND-UHFFFAOYSA-N
XLogP3.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea (CID 2955816) is 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea is O=C(Nc1ccn(Cc2ccccc2F)n1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea?
The InChIKey is OSZHGSABJOTGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-12-5-6-15(14(20)9-12)21-17(25)22-16-7-8-24(23-16)10-11-3-1-2-4-13(11)19/h1-9H,10H2,(H2,21,22,23,25).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea?
1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea has a molecular weight of 346.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 2955816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).