2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol

C13H19N3OS — CID 65246331

IUPAC2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1cc(CNCc2cnn(CCO)c2)sc1C
InChIInChI=1S/C13H19N3OS/c1-10-5-13(18-11(10)2)8-14-6-12-7-15-16(9-12)3-4-17/h5,7,9,14,17H,3-4,6,8H2,1-2H3
InChIKeyUSTPOFMIQXVRQT-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.84
Rot. Bonds6

About 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 65246331) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID65246331
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1cc(CNCc2cnn(CCO)c2)sc1C
InChIInChI=1S/C13H19N3OS/c1-10-5-13(18-11(10)2)8-14-6-12-7-15-16(9-12)3-4-17/h5,7,9,14,17H,3-4,6,8H2,1-2H3
InChIKeyUSTPOFMIQXVRQT-UHFFFAOYSA-N
XLogP1.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
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3-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268569
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2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
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2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 64828582
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol (CID 65246331) is 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol is Cc1cc(CNCc2cnn(CCO)c2)sc1C.
What is the InChIKey of 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is USTPOFMIQXVRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-5-13(18-11(10)2)8-14-6-12-7-15-16(9-12)3-4-17/h5,7,9,14,17H,3-4,6,8H2,1-2H3.
What are the key properties of 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 265.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 65246331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).