1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea

C16H14F2N4OS — CID 86266400

IUPAC1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)Nc1c(F)cccc1F
InChIInChI=1S/C16H14F2N4OS/c17-12-2-1-3-13(18)15(12)20-16(23)19-6-8-22-7-4-14(21-22)11-5-9-24-10-11/h1-5,7,9-10H,6,8H2,(H2,19,20,23)
InChIKeyFTKBYMFGPZNHQW-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.71
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea

1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea (PubChem CID 86266400) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
PubChem CID86266400
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)Nc1c(F)cccc1F
InChIInChI=1S/C16H14F2N4OS/c17-12-2-1-3-13(18)15(12)20-16(23)19-6-8-22-7-4-14(21-22)11-5-9-24-10-11/h1-5,7,9-10H,6,8H2,(H2,19,20,23)
InChIKeyFTKBYMFGPZNHQW-UHFFFAOYSA-N
XLogP3.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
N,4-Dimethyl-3-(2-thienyl)-1H-pyrazole-1-carboxamide
CID 2805457
1-[5-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2820493
N-[(1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinyl)methyl]acetamide
CID 16189185
1-[1-[(3-Cyanophenyl)methyl]pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3387984
2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
CID 6623236
1-Ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 51075232
6-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-4-(2-thienyl)-1H-pyrimidine-2-thione
CID 57394190
N-(1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-pyrrolidinyl)acetamide
CID 70745683
1-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 71797441
1-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 71797482
1-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71807791

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea (CID 86266400) is 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea is O=C(NCCn1ccc(-c2ccsc2)n1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
The InChIKey is FTKBYMFGPZNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c17-12-2-1-3-13(18)15(12)20-16(23)19-6-8-22-7-4-14(21-22)11-5-9-24-10-11/h1-5,7,9-10H,6,8H2,(H2,19,20,23).
What are the key properties of 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea?
1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea has a molecular weight of 348.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 86266400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).