2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol

C14H15N3OS — CID 64828407

IUPAC2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc3sccc3c2)cn1
InChIInChI=1S/C14H15N3OS/c18-5-4-17-10-11(9-16-17)8-15-13-1-2-14-12(7-13)3-6-19-14/h1-3,6-7,9-10,15,18H,4-5,8H2
InChIKeyPXOLLJXDXPFZMY-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64828407) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64828407
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc3sccc3c2)cn1
InChIInChI=1S/C14H15N3OS/c18-5-4-17-10-11(9-16-17)8-15-13-1-2-14-12(7-13)3-6-19-14/h1-3,6-7,9-10,15,18H,4-5,8H2
InChIKeyPXOLLJXDXPFZMY-UHFFFAOYSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]benzene-1,2-dicarbonitrile
CID 107788176
2-[4-[(3-chloroanilino)methyl]pyrazol-1-yl]ethanol
CID 64830921
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]benzonitrile
CID 64829940
2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol
CID 64829397
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694
6-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-4H-1,4-benzothiazin-3-one
CID 64830355
2-[4-[(2-thiophen-2-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 64828814
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
CID 107235018
2-[4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64828612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol (CID 64828407) is 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNc2ccc3sccc3c2)cn1.
What is the InChIKey of 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is PXOLLJXDXPFZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-5-4-17-10-11(9-16-17)8-15-13-1-2-14-12(7-13)3-6-19-14/h1-3,6-7,9-10,15,18H,4-5,8H2.
What are the key properties of 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 273.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64828407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).