2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol

C11H19N3OS — CID 115723352

IUPAC2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol
SMILESCn1cc(C(C)(O)CNC2CCSC2)cn1
InChIInChI=1S/C11H19N3OS/c1-11(15,9-5-13-14(2)6-9)8-12-10-3-4-16-7-10/h5-6,10,12,15H,3-4,7-8H2,1-2H3
InChIKeyMGDXNHXPOSQKRF-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.72
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol

2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol (PubChem CID 115723352) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol
PubChem CID115723352
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol
SMILESCn1cc(C(C)(O)CNC2CCSC2)cn1
InChIInChI=1S/C11H19N3OS/c1-11(15,9-5-13-14(2)6-9)8-12-10-3-4-16-7-10/h5-6,10,12,15H,3-4,7-8H2,1-2H3
InChIKeyMGDXNHXPOSQKRF-UHFFFAOYSA-N
XLogP0.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol (CID 115723352) is 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol is Cn1cc(C(C)(O)CNC2CCSC2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol?
The InChIKey is MGDXNHXPOSQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(15,9-5-13-14(2)6-9)8-12-10-3-4-16-7-10/h5-6,10,12,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol?
2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol is sourced from PubChem (CID 115723352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).