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

C11H15N3OS — CID 61350626

IUPAC2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol
SMILESCn1cc(CNCC(O)c2cccs2)cn1
InChIInChI=1S/C11H15N3OS/c1-14-8-9(6-13-14)5-12-7-10(15)11-3-2-4-16-11/h2-4,6,8,10,12,15H,5,7H2,1H3
InChIKeySMGPVGGPALNBSB-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.30
Rot. Bonds5

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

2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol (PubChem CID 61350626) 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-2-ylethanol.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol
PubChem CID61350626
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol
SMILESCn1cc(CNCC(O)c2cccs2)cn1
InChIInChI=1S/C11H15N3OS/c1-14-8-9(6-13-14)5-12-7-10(15)11-3-2-4-16-11/h2-4,6,8,10,12,15H,5,7H2,1H3
InChIKeySMGPVGGPALNBSB-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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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol (CID 61350626) is 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol is Cn1cc(CNCC(O)c2cccs2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol?
The InChIKey is SMGPVGGPALNBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14-8-9(6-13-14)5-12-7-10(15)11-3-2-4-16-11/h2-4,6,8,10,12,15H,5,7H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol?
2-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 61350626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).