1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone

C8H11N3OS — CID 43581948

IUPAC1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCSCC1
InChIInChI=1S/C8H11N3OS/c12-8(7-5-9-10-6-7)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10)
InChIKeyLYFOTAURDAFQGW-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.60
Rot. Bonds1

About 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone

1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone (PubChem CID 43581948) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone
PubChem CID43581948
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCSCC1
InChIInChI=1S/C8H11N3OS/c12-8(7-5-9-10-6-7)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10)
InChIKeyLYFOTAURDAFQGW-UHFFFAOYSA-N
XLogP0.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
Morpholino(1H-pyrazol-4-yl)methanone
CID 20784942
(4-cyclopropylpiperazin-1-yl)(1H-pyrazol-4-yl)methanone
CID 60959056
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982
N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 103621099
(4,4-difluoropiperidin-1-yl)(1H-pyrazol-4-yl)methanone
CID 121184606
1-(1H-pyrazole-4-carbonyl)piperazine
CID 43565571
N,N-diethyl-1H-pyrazole-4-carboxamide
CID 43582299
(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582311
N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 43582583

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone?
The IUPAC name of 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone (CID 43581948) is 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone?
The canonical SMILES for 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone is O=C(c1cn[nH]c1)N1CCSCC1.
What is the InChIKey of 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone?
The InChIKey is LYFOTAURDAFQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c12-8(7-5-9-10-6-7)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10).
What are the key properties of 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone?
1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone has a molecular weight of 197.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 43581948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).