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

C14H21N3OS — CID 64830398

IUPAC2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol
SMILESCCCC(NCc1cnn(CCO)c1)c1cccs1
InChIInChI=1S/C14H21N3OS/c1-2-4-13(14-5-3-8-19-14)15-9-12-10-16-17(11-12)6-7-18/h3,5,8,10-11,13,15,18H,2,4,6-7,9H2,1H3
InChIKeyPQKYPESFKGFVTG-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.57
Rot. Bonds8

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

2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64830398) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64830398
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol
SMILESCCCC(NCc1cnn(CCO)c1)c1cccs1
InChIInChI=1S/C14H21N3OS/c1-2-4-13(14-5-3-8-19-14)15-9-12-10-16-17(11-12)6-7-18/h3,5,8,10-11,13,15,18H,2,4,6-7,9H2,1H3
InChIKeyPQKYPESFKGFVTG-UHFFFAOYSA-N
XLogP2.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 115682482
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572
N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 102794806
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 106936694
2-[4-[(2-thiophen-2-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 64828814
2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine
CID 62127681
1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63454808
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol (CID 64830398) is 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol is CCCC(NCc1cnn(CCO)c1)c1cccs1.
What is the InChIKey of 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is PQKYPESFKGFVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-4-13(14-5-3-8-19-14)15-9-12-10-16-17(11-12)6-7-18/h3,5,8,10-11,13,15,18H,2,4,6-7,9H2,1H3.
What are the key properties of 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 279.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).