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

C12H15N3OS — CID 107094754

IUPAC2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
SMILESC=Cn1cc(CNCC(O)c2ccsc2)cn1
InChIInChI=1S/C12H15N3OS/c1-2-15-8-10(6-14-15)5-13-7-12(16)11-3-4-17-9-11/h2-4,6,8-9,12-13,16H,1,5,7H2
InChIKeyISCQYQOCEGKEEO-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.87
Rot. Bonds6

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

2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 107094754) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID107094754
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
SMILESC=Cn1cc(CNCC(O)c2ccsc2)cn1
InChIInChI=1S/C12H15N3OS/c1-2-15-8-10(6-14-15)5-13-7-12(16)11-3-4-17-9-11/h2-4,6,8-9,12-13,16H,1,5,7H2
InChIKeyISCQYQOCEGKEEO-UHFFFAOYSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
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
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106936882
2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 103578658
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
CID 111440446
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol (CID 107094754) is 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol is C=Cn1cc(CNCC(O)c2ccsc2)cn1.
What is the InChIKey of 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is ISCQYQOCEGKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-15-8-10(6-14-15)5-13-7-12(16)11-3-4-17-9-11/h2-4,6,8-9,12-13,16H,1,5,7H2.
What are the key properties of 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 249.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 107094754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).