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

C13H19N3OS — CID 64830572

IUPAC2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCC(Cc1ccsc1)NCc1cnn(CCO)c1
InChIInChI=1S/C13H19N3OS/c1-11(6-12-2-5-18-10-12)14-7-13-8-15-16(9-13)3-4-17/h2,5,8-11,14,17H,3-4,6-7H2,1H3
InChIKeyYYXGHEYQGQQCQM-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.66
Rot. Bonds7

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

2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64830572) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64830572
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCC(Cc1ccsc1)NCc1cnn(CCO)c1
InChIInChI=1S/C13H19N3OS/c1-11(6-12-2-5-18-10-12)14-7-13-8-15-16(9-13)3-4-17/h2,5,8-11,14,17H,3-4,6-7H2,1H3
InChIKeyYYXGHEYQGQQCQM-UHFFFAOYSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol (CID 64830572) is 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol is CC(Cc1ccsc1)NCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is YYXGHEYQGQQCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-11(6-12-2-5-18-10-12)14-7-13-8-15-16(9-13)3-4-17/h2,5,8-11,14,17H,3-4,6-7H2,1H3.
What are the key properties of 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 265.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).