4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol

C18H14N2OS — CID 59872204

IUPAC4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol
SMILESOc1ccc(Cc2cc(-c3csc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C18H14N2OS/c21-14-7-5-12(6-8-14)9-13-10-17(20-19-13)16-11-22-18-4-2-1-3-15(16)18/h1-8,10-11,21H,9H2,(H,19,20)
InChIKeyGCDKNONNQFZWAH-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.59
Rot. Bonds3

About 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol

4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol (PubChem CID 59872204) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol
PubChem CID59872204
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol
SMILESOc1ccc(Cc2cc(-c3csc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C18H14N2OS/c21-14-7-5-12(6-8-14)9-13-10-17(20-19-13)16-11-22-18-4-2-1-3-15(16)18/h1-8,10-11,21H,9H2,(H,19,20)
InChIKeyGCDKNONNQFZWAH-UHFFFAOYSA-N
XLogP4.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]ethyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 91495818
3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
CID 142092132
4-[2-[[2-amino-6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117091764
3-(1-benzothiophen-3-yl)-5-(2-phenylethynyl)-1H-pyrazole
CID 142092151
CID 146598306
CID 146598306
3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
CID 91248894
N-[[4-(aminomethyl)phenyl]methyl]-2-(1-benzothiophen-3-yl)quinoline-4-carboxamide
CID 18729967
4-(1-benzothiophen-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867326
2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol
CID 50956839
N-[[6-(1-benzothiophen-3-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 172887459
4-[2-[[2-(1-benzothiophen-3-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-4-yl]amino]ethyl]phenol;methane
CID 167629513
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol (CID 59872204) is 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol is Oc1ccc(Cc2cc(-c3csc4ccccc34)n[nH]2)cc1.
What is the InChIKey of 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol?
The InChIKey is GCDKNONNQFZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-14-7-5-12(6-8-14)9-13-10-17(20-19-13)16-11-22-18-4-2-1-3-15(16)18/h1-8,10-11,21H,9H2,(H,19,20).
What are the key properties of 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol?
4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol has a molecular weight of 306.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]methyl]phenol is sourced from PubChem (CID 59872204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).