[4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C18H17FN4OS — CID 20906445

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H17FN4OS/c19-13-4-1-2-5-16(13)22-7-9-23(10-8-22)18(24)15-12-14(20-21-15)17-6-3-11-25-17/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyIDRFUSYWFDAAED-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.24
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 20906445) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID20906445
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H17FN4OS/c19-13-4-1-2-5-16(13)22-7-9-23(10-8-22)18(24)15-12-14(20-21-15)17-6-3-11-25-17/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyIDRFUSYWFDAAED-UHFFFAOYSA-N
XLogP3.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

11-Bromo-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,10-dithia-3,4-diazatricyclo[7.3.0.0,6]dodeca-1(9),2,5,11-tetraene (7c)
CID 78427626
1-(4-Bromobenzenesulfonyl)-4-[3-(thiophen-2-YL)-1H-pyrazole-5-carbonyl]piperazine
CID 20910793
1-(4-Chlorobenzenesulfonyl)-4-[3-(thiophen-2-YL)-1H-pyrazole-5-carbonyl]piperazine
CID 20910797
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 129226288
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24792052
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}thiophene-3-carboxamide
CID 91887878
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-5-methylthiophene-2-carboxamide
CID 91892644
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]thiophen-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 155563610
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
CID 3216056
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24687753
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 20906445) is [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is IDRFUSYWFDAAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-13-4-1-2-5-16(13)22-7-9-23(10-8-22)18(24)15-12-14(20-21-15)17-6-3-11-25-17/h1-6,11-12H,7-10H2,(H,20,21).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 20906445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).