[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea

C16H11F4N5O — CID 69084095

IUPAC[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H11F4N5O/c17-10-1-3-11(4-2-10)25-12(8-13(24-25)16(18,19)20)9-5-6-22-14(7-9)23-15(21)26/h1-8H,(H3,21,22,23,26)
InChIKeyJRAWRXCCCZYPLR-UHFFFAOYSA-N
MW365.29 g/mol
LogP3.58
Rot. Bonds3

About [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea

[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea (PubChem CID 69084095) has the molecular formula C16H11F4N5O and a molecular weight of 365.29 g/mol. Its IUPAC name is [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea
PubChem CID69084095
Molecular FormulaC16H11F4N5O
Molecular Weight365.29 g/mol
Exact Mass365.09
IUPAC Name[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H11F4N5O/c17-10-1-3-11(4-2-10)25-12(8-13(24-25)16(18,19)20)9-5-6-22-14(7-9)23-15(21)26/h1-8H,(H3,21,22,23,26)
InChIKeyJRAWRXCCCZYPLR-UHFFFAOYSA-N
XLogP3.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea?
The IUPAC name of [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea (CID 69084095) is [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea?
The canonical SMILES for [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea is NC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1.
What is the InChIKey of [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea?
The InChIKey is JRAWRXCCCZYPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5O/c17-10-1-3-11(4-2-10)25-12(8-13(24-25)16(18,19)20)9-5-6-22-14(7-9)23-15(21)26/h1-8H,(H3,21,22,23,26).
What are the key properties of [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea?
[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea has a molecular weight of 365.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea is sourced from PubChem (CID 69084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).