1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea

C17H15F3N4O2 — CID 122266310

IUPAC1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(c1ccco1)n1cccn1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)12-4-1-5-13(10-12)23-16(25)21-11-14(15-6-2-9-26-15)24-8-3-7-22-24/h1-10,14H,11H2,(H2,21,23,25)
InChIKeyKMRFRZNVTYNPJL-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 122266310) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID122266310
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(c1ccco1)n1cccn1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)12-4-1-5-13(10-12)23-16(25)21-11-14(15-6-2-9-26-15)24-8-3-7-22-24/h1-10,14H,11H2,(H2,21,23,25)
InChIKeyKMRFRZNVTYNPJL-UHFFFAOYSA-N
XLogP3.91
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 122266237
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
1-(2-hydroxy-3-methylbutyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 115645016
2-cyclohexyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265953
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
CID 122265946
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 51894433

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 122266310) is 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCC(c1ccco1)n1cccn1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is KMRFRZNVTYNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)12-4-1-5-13(10-12)23-16(25)21-11-14(15-6-2-9-26-15)24-8-3-7-22-24/h1-10,14H,11H2,(H2,21,23,25).
What are the key properties of 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 364.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 122266310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).