2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol

C11H15N3OS — CID 111440437

IUPAC2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCn1cc(CNCC(O)c2ccsc2)cn1
InChIInChI=1S/C11H15N3OS/c1-14-7-9(5-13-14)4-12-6-11(15)10-2-3-16-8-10/h2-3,5,7-8,11-12,15H,4,6H2,1H3
InChIKeyHHIMDEZVHHAYKG-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.30
Rot. Bonds5

About 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol

2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 111440437) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID111440437
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCn1cc(CNCC(O)c2ccsc2)cn1
InChIInChI=1S/C11H15N3OS/c1-14-7-9(5-13-14)4-12-6-11(15)10-2-3-16-8-10/h2-3,5,7-8,11-12,15H,4,6H2,1H3
InChIKeyHHIMDEZVHHAYKG-UHFFFAOYSA-N
XLogP1.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 107094754
2-[(1-benzylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440398
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
1-(1,3-benzodioxol-5-yl)-2-[(1-methylpyrazol-4-yl)methylamino]ethanol
CID 61349275
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 114188500
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol (CID 111440437) is 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol is Cn1cc(CNCC(O)c2ccsc2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is HHIMDEZVHHAYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14-7-9(5-13-14)4-12-6-11(15)10-2-3-16-8-10/h2-3,5,7-8,11-12,15H,4,6H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 237.33 g/mol, XLogP of 1.30, 5 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)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 111440437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).