1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea

C17H17FN4OS — CID 155801213

IUPAC1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
SMILESCn1cc(-c2ccc(CCNC(=O)Nc3ccccc3F)s2)cn1
InChIInChI=1S/C17H17FN4OS/c1-22-11-12(10-20-22)16-7-6-13(24-16)8-9-19-17(23)21-15-5-3-2-4-14(15)18/h2-7,10-11H,8-9H2,1H3,(H2,19,21,23)
InChIKeyZDUBZYSYADHREX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea

1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea (PubChem CID 155801213) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
PubChem CID155801213
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
SMILESCn1cc(-c2ccc(CCNC(=O)Nc3ccccc3F)s2)cn1
InChIInChI=1S/C17H17FN4OS/c1-22-11-12(10-20-22)16-7-6-13(24-16)8-9-19-17(23)21-15-5-3-2-4-14(15)18/h2-7,10-11H,8-9H2,1H3,(H2,19,21,23)
InChIKeyZDUBZYSYADHREX-UHFFFAOYSA-N
XLogP3.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
CID 155801215
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide
CID 155981904
1-[2-(4-methoxyphenyl)ethyl]-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801272
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
CID 155800975
methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate
CID 155801169
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 155801253
(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
CID 155801051
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 47093348
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
CID 79778925
1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558541
1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
CID 115629205
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea (CID 155801213) is 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea is Cn1cc(-c2ccc(CCNC(=O)Nc3ccccc3F)s2)cn1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea?
The InChIKey is ZDUBZYSYADHREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-22-11-12(10-20-22)16-7-6-13(24-16)8-9-19-17(23)21-15-5-3-2-4-14(15)18/h2-7,10-11H,8-9H2,1H3,(H2,19,21,23).
What are the key properties of 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea?
1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea is sourced from PubChem (CID 155801213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).