1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea

C16H14F2N4OS — CID 42687519

IUPAC1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F2N4OS/c1-2-11-14(15(22-21-11)13-4-3-7-24-13)20-16(23)19-12-6-5-9(17)8-10(12)18/h3-8H,2H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyJUNMFWORQDYOEF-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.62
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea

1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea (PubChem CID 42687519) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
PubChem CID42687519
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F2N4OS/c1-2-11-14(15(22-21-11)13-4-3-7-24-13)20-16(23)19-12-6-5-9(17)8-10(12)18/h3-8H,2H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyJUNMFWORQDYOEF-UHFFFAOYSA-N
XLogP4.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea (CID 42687519) is 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea is CCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea?
The InChIKey is JUNMFWORQDYOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c1-2-11-14(15(22-21-11)13-4-3-7-24-13)20-16(23)19-12-6-5-9(17)8-10(12)18/h3-8H,2H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea?
1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea has a molecular weight of 348.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 42687519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).