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

C10H13N3OS — CID 66350804

IUPAC2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccsc2)cn1
InChIInChI=1S/C10H13N3OS/c14-3-2-13-7-9(6-12-13)5-11-10-1-4-15-8-10/h1,4,6-8,11,14H,2-3,5H2
InChIKeyVYLXADNCLFNNKJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.55
Rot. Bonds5

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

2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 66350804) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID66350804
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccsc2)cn1
InChIInChI=1S/C10H13N3OS/c14-3-2-13-7-9(6-12-13)5-11-10-1-4-15-8-10/h1,4,6-8,11,14H,2-3,5H2
InChIKeyVYLXADNCLFNNKJ-UHFFFAOYSA-N
XLogP1.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Aminopyrazol-1-yl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43527888
1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 43728987
1-(4-Aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 61433977
1-Pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248313
2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 64457421
2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrazol-3-yl]methyl]ethanamine
CID 64458597
2-[4-[(2-Thiophen-3-ylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830390
2-[4-[(Thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830986
N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine
CID 66350402
N-(2-pyrazol-1-ylethyl)thiophen-3-amine
CID 66350410
N-[(1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 66350546
1-Pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66351051

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol (CID 66350804) is 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNc2ccsc2)cn1.
What is the InChIKey of 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is VYLXADNCLFNNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-3-2-13-7-9(6-12-13)5-11-10-1-4-15-8-10/h1,4,6-8,11,14H,2-3,5H2.
What are the key properties of 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 223.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 66350804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).