1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol

C11H15N3OS — CID 63248313

IUPAC1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccsc1)Cn1cccn1
InChIInChI=1S/C11H15N3OS/c15-11(8-14-4-1-3-13-14)7-12-6-10-2-5-16-9-10/h1-5,9,11-12,15H,6-8H2
InChIKeyXOBNHSFMVRIOCJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.10
Rot. Bonds6

About 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol

1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol (PubChem CID 63248313) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol
PubChem CID63248313
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccsc1)Cn1cccn1
InChIInChI=1S/C11H15N3OS/c15-11(8-14-4-1-3-13-14)7-12-6-10-2-5-16-9-10/h1-5,9,11-12,15H,6-8H2
InChIKeyXOBNHSFMVRIOCJ-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol (CID 63248313) is 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol is OC(CNCc1ccsc1)Cn1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is XOBNHSFMVRIOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-11(8-14-4-1-3-13-14)7-12-6-10-2-5-16-9-10/h1-5,9,11-12,15H,6-8H2.
What are the key properties of 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol?
1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 237.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 63248313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).