2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol

C11H15N3OS — CID 64830986

IUPAC2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccsc2)cn1
InChIInChI=1S/C11H15N3OS/c15-3-2-14-8-11(7-13-14)6-12-5-10-1-4-16-9-10/h1,4,7-9,12,15H,2-3,5-6H2
InChIKeyNHVSHMGRUSOVGJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.23
Rot. Bonds6

About 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64830986) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64830986
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccsc2)cn1
InChIInChI=1S/C11H15N3OS/c15-3-2-14-8-11(7-13-14)6-12-5-10-1-4-16-9-10/h1,4,7-9,12,15H,2-3,5-6H2
InChIKeyNHVSHMGRUSOVGJ-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol (CID 64830986) is 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCc2ccsc2)cn1.
What is the InChIKey of 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is NHVSHMGRUSOVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-3-2-14-8-11(7-13-14)6-12-5-10-1-4-16-9-10/h1,4,7-9,12,15H,2-3,5-6H2.
What are the key properties of 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 237.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).