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

C16H15FN4OS — CID 42687518

IUPAC1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H15FN4OS/c1-2-11-14(15(21-20-11)13-8-5-9-23-13)19-16(22)18-12-7-4-3-6-10(12)17/h3-9H,2H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyMMCSDXZGIPWQJZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.48
Rot. Bonds4

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

1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea (PubChem CID 42687518) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea
PubChem CID42687518
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H15FN4OS/c1-2-11-14(15(21-20-11)13-8-5-9-23-13)19-16(22)18-12-7-4-3-6-10(12)17/h3-9H,2H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyMMCSDXZGIPWQJZ-UHFFFAOYSA-N
XLogP4.48
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea (CID 42687518) is 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea is CCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea?
The InChIKey is MMCSDXZGIPWQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-2-11-14(15(21-20-11)13-8-5-9-23-13)19-16(22)18-12-7-4-3-6-10(12)17/h3-9H,2H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea?
1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea has a molecular weight of 330.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 42687518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).