4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

C20H18N2O3S — CID 155544643

IUPAC4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2[nH]ncc2-c2cc3ccccc3s2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O3S/c1-23-15-8-13(9-16(24-2)20(15)25-3)19-14(11-21-22-19)18-10-12-6-4-5-7-17(12)26-18/h4-11H,1-3H3,(H,21,22)
InChIKeyZNSDTQGSYCXNAV-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.98
Rot. Bonds5

About 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 155544643) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID155544643
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2[nH]ncc2-c2cc3ccccc3s2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O3S/c1-23-15-8-13(9-16(24-2)20(15)25-3)19-14(11-21-22-19)18-10-12-6-4-5-7-17(12)26-18/h4-11H,1-3H3,(H,21,22)
InChIKeyZNSDTQGSYCXNAV-UHFFFAOYSA-N
XLogP4.98
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 155544643) is 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1cc(-c2[nH]ncc2-c2cc3ccccc3s2)cc(OC)c1OC.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is ZNSDTQGSYCXNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-23-15-8-13(9-16(24-2)20(15)25-3)19-14(11-21-22-19)18-10-12-6-4-5-7-17(12)26-18/h4-11H,1-3H3,(H,21,22).
What are the key properties of 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 366.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 155544643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).