4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine

C11H19N3OS — CID 143633107

IUPAC4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine
SMILESCSC(C)(C)c1cc(N2CCOCC2)n[nH]1
InChIInChI=1S/C11H19N3OS/c1-11(2,16-3)9-8-10(13-12-9)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyPUXGFSRWSSXFGI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.84
Rot. Bonds3

About 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine

4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine (PubChem CID 143633107) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine
PubChem CID143633107
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine
SMILESCSC(C)(C)c1cc(N2CCOCC2)n[nH]1
InChIInChI=1S/C11H19N3OS/c1-11(2,16-3)9-8-10(13-12-9)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyPUXGFSRWSSXFGI-UHFFFAOYSA-N
XLogP1.84
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 143742170
3-morpholin-4-yl-5-phenyl-1H-pyridazin-6-one
CID 11680448
4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine
CID 13393636
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
2-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122625310
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353
1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 133054089
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine?
The IUPAC name of 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine (CID 143633107) is 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine is CSC(C)(C)c1cc(N2CCOCC2)n[nH]1.
What is the InChIKey of 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine?
The InChIKey is PUXGFSRWSSXFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,16-3)9-8-10(13-12-9)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine?
4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine has a molecular weight of 241.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylsulfanylpropan-2-yl)-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 143633107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).