1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

C19H15F3N4O2 — CID 2812807

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SMILESO=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)17-7-9-26(25-17)15-4-1-13(2-5-15)23-18(27)24-14-3-6-16-12(11-14)8-10-28-16/h1-7,9,11H,8,10H2,(H2,23,24,27)
InChIKeyJZDUMAPPYRFWPT-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.47
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea (PubChem CID 2812807) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
PubChem CID2812807
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SMILESO=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)17-7-9-26(25-17)15-4-1-13(2-5-15)23-18(27)24-14-3-6-16-12(11-14)8-10-28-16/h1-7,9,11H,8,10H2,(H2,23,24,27)
InChIKeyJZDUMAPPYRFWPT-UHFFFAOYSA-N
XLogP4.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea (CID 2812807) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea is O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The InChIKey is JZDUMAPPYRFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)17-7-9-26(25-17)15-4-1-13(2-5-15)23-18(27)24-14-3-6-16-12(11-14)8-10-28-16/h1-7,9,11H,8,10H2,(H2,23,24,27).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea has a molecular weight of 388.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea is sourced from PubChem (CID 2812807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).