1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone

C15H17N3OS — CID 107331683

IUPAC1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c19-15(10-12-11-20-9-8-16-12)14-6-7-17-18(14)13-4-2-1-3-5-13/h1-7,12,16H,8-11H2
InChIKeyZMJKRSPTQQQQEA-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone

1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 107331683) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone
PubChem CID107331683
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c19-15(10-12-11-20-9-8-16-12)14-6-7-17-18(14)13-4-2-1-3-5-13/h1-7,12,16H,8-11H2
InChIKeyZMJKRSPTQQQQEA-UHFFFAOYSA-N
XLogP2.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone
CID 114692152
1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
CID 107331673
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671
1-(2-methyltriazol-4-yl)-2-thiomorpholin-3-ylethanone
CID 130603430
2-thiomorpholin-3-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide;hydrochloride
CID 119937742
2-(1,4-diazepan-1-yl)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331630
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941711
1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
CID 116586477
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940587
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone (CID 107331683) is 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)c1ccnn1-c1ccccc1.
What is the InChIKey of 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is ZMJKRSPTQQQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(10-12-11-20-9-8-16-12)14-6-7-17-18(14)13-4-2-1-3-5-13/h1-7,12,16H,8-11H2.
What are the key properties of 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone?
1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 287.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 107331683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).