2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol

C17H12N2OS — CID 155522013

IUPAC2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(-c2cc3ccccc3s2)[nH]n1
InChIInChI=1S/C17H12N2OS/c20-15-7-3-2-6-12(15)13-10-14(19-18-13)17-9-11-5-1-4-8-16(11)21-17/h1-10,20H,(H,18,19)
InChIKeyDLWVLUGQBKLRDG-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.66
Rot. Bonds2

About 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol

2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol (PubChem CID 155522013) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol
PubChem CID155522013
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(-c2cc3ccccc3s2)[nH]n1
InChIInChI=1S/C17H12N2OS/c20-15-7-3-2-6-12(15)13-10-14(19-18-13)17-9-11-5-1-4-8-16(11)21-17/h1-10,20H,(H,18,19)
InChIKeyDLWVLUGQBKLRDG-UHFFFAOYSA-N
XLogP4.66
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol (CID 155522013) is 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol is Oc1ccccc1-c1cc(-c2cc3ccccc3s2)[nH]n1.
What is the InChIKey of 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol?
The InChIKey is DLWVLUGQBKLRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c20-15-7-3-2-6-12(15)13-10-14(19-18-13)17-9-11-5-1-4-8-16(11)21-17/h1-10,20H,(H,18,19).
What are the key properties of 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol?
2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol has a molecular weight of 292.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 155522013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).