1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide

C16H21N5O3S2 — CID 53142656

IUPAC1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2ccncc2)c(S(=O)(=O)N2CCSCC2)n1
InChIInChI=1S/C16H21N5O3S2/c1-2-20-12-14(15(22)18-11-13-3-5-17-6-4-13)16(19-20)26(23,24)21-7-9-25-10-8-21/h3-6,12H,2,7-11H2,1H3,(H,18,22)
InChIKeyIXPMSOLMECOQFJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP0.97
Rot. Bonds6

About 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide

1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide (PubChem CID 53142656) has the molecular formula C16H21N5O3S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
PubChem CID53142656
Molecular FormulaC16H21N5O3S2
Molecular Weight395.51 g/mol
Exact Mass395.11
IUPAC Name1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2ccncc2)c(S(=O)(=O)N2CCSCC2)n1
InChIInChI=1S/C16H21N5O3S2/c1-2-20-12-14(15(22)18-11-13-3-5-17-6-4-13)16(19-20)26(23,24)21-7-9-25-10-8-21/h3-6,12H,2,7-11H2,1H3,(H,18,22)
InChIKeyIXPMSOLMECOQFJ-UHFFFAOYSA-N
XLogP0.97
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142624
1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142683
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 53336982
N-[(2-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142623
N-(pyridin-4-ylmethyl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51126293
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 53200671
N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 53142858
N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 83273764
3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 53143017
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 28591138
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142754
2-chloro-N-(pyridin-3-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387547

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide (CID 53142656) is 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide is CCn1cc(C(=O)NCc2ccncc2)c(S(=O)(=O)N2CCSCC2)n1.
What is the InChIKey of 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is IXPMSOLMECOQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S2/c1-2-20-12-14(15(22)18-11-13-3-5-17-6-4-13)16(19-20)26(23,24)21-7-9-25-10-8-21/h3-6,12H,2,7-11H2,1H3,(H,18,22).
What are the key properties of 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 53142656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).