4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole

C19H13N3OS — CID 140691063

IUPAC4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole
SMILESc1cc(-n2cccn2)cc(-n2ccc3oc(-c4ccsc4)cc32)c1
InChIInChI=1S/C19H13N3OS/c1-3-15(11-16(4-1)22-8-2-7-20-22)21-9-5-18-17(21)12-19(23-18)14-6-10-24-13-14/h1-13H
InChIKeyWRMMJBZNGDDYRB-UHFFFAOYSA-N
MW331.40 g/mol
LogP5.14
Rot. Bonds3

About 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole

4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole (PubChem CID 140691063) has the molecular formula C19H13N3OS and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole
PubChem CID140691063
Molecular FormulaC19H13N3OS
Molecular Weight331.40 g/mol
Exact Mass331.08
IUPAC Name4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole
SMILESc1cc(-n2cccn2)cc(-n2ccc3oc(-c4ccsc4)cc32)c1
InChIInChI=1S/C19H13N3OS/c1-3-15(11-16(4-1)22-8-2-7-20-22)21-9-5-18-17(21)12-19(23-18)14-6-10-24-13-14/h1-13H
InChIKeyWRMMJBZNGDDYRB-UHFFFAOYSA-N
XLogP5.14
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole?
The IUPAC name of 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole (CID 140691063) is 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole.
What is the SMILES notation for 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole?
The canonical SMILES for 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole is c1cc(-n2cccn2)cc(-n2ccc3oc(-c4ccsc4)cc32)c1.
What is the InChIKey of 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole?
The InChIKey is WRMMJBZNGDDYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS/c1-3-15(11-16(4-1)22-8-2-7-20-22)21-9-5-18-17(21)12-19(23-18)14-6-10-24-13-14/h1-13H.
What are the key properties of 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole?
4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole has a molecular weight of 331.40 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylphenyl)-2-thiophen-3-ylfuro[3,2-b]pyrrole is sourced from PubChem (CID 140691063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).