4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole

C18H12N4OS — CID 140690418

IUPAC4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole
SMILESc1cc(-n2cccn2)cc(-n2ccc3oc(-c4cscn4)cc32)c1
InChIInChI=1S/C18H12N4OS/c1-3-13(9-14(4-1)22-7-2-6-20-22)21-8-5-17-16(21)10-18(23-17)15-11-24-12-19-15/h1-12H
InChIKeyQSRPUWPGZNKCOX-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.53
Rot. Bonds3

About 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole

4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole (PubChem CID 140690418) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole
PubChem CID140690418
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole
SMILESc1cc(-n2cccn2)cc(-n2ccc3oc(-c4cscn4)cc32)c1
InChIInChI=1S/C18H12N4OS/c1-3-13(9-14(4-1)22-7-2-6-20-22)21-8-5-17-16(21)10-18(23-17)15-11-24-12-19-15/h1-12H
InChIKeyQSRPUWPGZNKCOX-UHFFFAOYSA-N
XLogP4.53
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole?
The IUPAC name of 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole (CID 140690418) is 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole.
What is the SMILES notation for 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole?
The canonical SMILES for 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole is c1cc(-n2cccn2)cc(-n2ccc3oc(-c4cscn4)cc32)c1.
What is the InChIKey of 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole?
The InChIKey is QSRPUWPGZNKCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c1-3-13(9-14(4-1)22-7-2-6-20-22)21-8-5-17-16(21)10-18(23-17)15-11-24-12-19-15/h1-12H.
What are the key properties of 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole?
4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole has a molecular weight of 332.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylphenyl)-2-(1,3-thiazol-4-yl)furo[3,2-b]pyrrole is sourced from PubChem (CID 140690418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).