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

C11H15N3OS — CID 63302557

IUPAC2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
SMILESCn1nccc1CNCC(O)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-14-9(4-5-13-14)7-12-8-10(15)11-3-2-6-16-11/h2-6,10,12,15H,7-8H2,1H3
InChIKeyBCRXYDLXRWCSML-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.30
Rot. Bonds5

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

2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol (PubChem CID 63302557) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
PubChem CID63302557
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
SMILESCn1nccc1CNCC(O)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-14-9(4-5-13-14)7-12-8-10(15)11-3-2-6-16-11/h2-6,10,12,15H,7-8H2,1H3
InChIKeyBCRXYDLXRWCSML-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

1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 36974759
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
(1S)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-1-thiophen-2-ylethanol
CID 97002395
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 115671255
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 63001761
N-[(2-methylpyrazol-3-yl)methyl]-2-thiophen-3-ylpropan-1-amine
CID 115671324
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111012254
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol (CID 63302557) is 2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol is Cn1nccc1CNCC(O)c1cccs1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol?
The InChIKey is BCRXYDLXRWCSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14-9(4-5-13-14)7-12-8-10(15)11-3-2-6-16-11/h2-6,10,12,15H,7-8H2,1H3.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol?
2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-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-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 63302557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).