4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine

C9H15N3S — CID 131089524

IUPAC4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine
SMILESCc1[nH]ncc1CN1CCSCC1
InChIInChI=1S/C9H15N3S/c1-8-9(6-10-11-8)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3,(H,10,11)
InChIKeyMIKROSQLUCBCDV-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.27
Rot. Bonds2

About 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine

4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine (PubChem CID 131089524) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine
PubChem CID131089524
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine
SMILESCc1[nH]ncc1CN1CCSCC1
InChIInChI=1S/C9H15N3S/c1-8-9(6-10-11-8)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3,(H,10,11)
InChIKeyMIKROSQLUCBCDV-UHFFFAOYSA-N
XLogP1.27
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine (CID 131089524) is 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine is Cc1[nH]ncc1CN1CCSCC1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine?
The InChIKey is MIKROSQLUCBCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-8-9(6-10-11-8)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3,(H,10,11).
What are the key properties of 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine?
4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine has a molecular weight of 197.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine is sourced from PubChem (CID 131089524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).