[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone

C16H18FN3OS — CID 56815923

IUPAC[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCCc1c(C(=O)N2CCSCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3OS/c1-2-15-14(16(21)19-7-9-22-10-8-19)11-18-20(15)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKeyMDBHXJRBTHEYHI-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.76
Rot. Bonds3

About [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone

[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 56815923) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID56815923
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCCc1c(C(=O)N2CCSCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3OS/c1-2-15-14(16(21)19-7-9-22-10-8-19)11-18-20(15)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKeyMDBHXJRBTHEYHI-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052
(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone
CID 46589101
[4-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 51133320
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 126773665
(3S)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173520
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886741
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 39325357
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 46589100
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 38358170
5-ethyl-1-(4-fluorophenyl)-N'-(2-hydroxybenzoyl)pyrazole-4-carbohydrazide
CID 31978367

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone (CID 56815923) is [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone is CCc1c(C(=O)N2CCSCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is MDBHXJRBTHEYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-2-15-14(16(21)19-7-9-22-10-8-19)11-18-20(15)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3.
What are the key properties of [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone?
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 319.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 56815923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).