3-(1-ethylpyrazol-4-yl)thiomorpholine

C9H15N3S — CID 86775445

IUPAC3-(1-ethylpyrazol-4-yl)thiomorpholine
SMILESCCn1cc(C2CSCCN2)cn1
InChIInChI=1S/C9H15N3S/c1-2-12-6-8(5-11-12)9-7-13-4-3-10-9/h5-6,9-10H,2-4,7H2,1H3
InChIKeyZEARRMCNCQDIJR-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.28
Rot. Bonds2

About 3-(1-ethylpyrazol-4-yl)thiomorpholine

3-(1-ethylpyrazol-4-yl)thiomorpholine (PubChem CID 86775445) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)thiomorpholine.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)thiomorpholine
PubChem CID86775445
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-(1-ethylpyrazol-4-yl)thiomorpholine
SMILESCCn1cc(C2CSCCN2)cn1
InChIInChI=1S/C9H15N3S/c1-2-12-6-8(5-11-12)9-7-13-4-3-10-9/h5-6,9-10H,2-4,7H2,1H3
InChIKeyZEARRMCNCQDIJR-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)thiomorpholine?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)thiomorpholine (CID 86775445) is 3-(1-ethylpyrazol-4-yl)thiomorpholine.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)thiomorpholine?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)thiomorpholine is CCn1cc(C2CSCCN2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)thiomorpholine?
The InChIKey is ZEARRMCNCQDIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-12-6-8(5-11-12)9-7-13-4-3-10-9/h5-6,9-10H,2-4,7H2,1H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)thiomorpholine?
3-(1-ethylpyrazol-4-yl)thiomorpholine has a molecular weight of 197.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)thiomorpholine is sourced from PubChem (CID 86775445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).