1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C16H14FN3S — CID 3585357

IUPAC1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1csc(-c2nn(-c3ccccc3F)c3c2CCN3)c1
InChIInChI=1S/C16H14FN3S/c1-10-8-14(21-9-10)15-11-6-7-18-16(11)20(19-15)13-5-3-2-4-12(13)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeySPWUTQVWOPJMEK-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.02
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3585357) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3585357
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC Name1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1csc(-c2nn(-c3ccccc3F)c3c2CCN3)c1
InChIInChI=1S/C16H14FN3S/c1-10-8-14(21-9-10)15-11-6-7-18-16(11)20(19-15)13-5-3-2-4-12(13)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeySPWUTQVWOPJMEK-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3585357) is 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cc1csc(-c2nn(-c3ccccc3F)c3c2CCN3)c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is SPWUTQVWOPJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c1-10-8-14(21-9-10)15-11-6-7-18-16(11)20(19-15)13-5-3-2-4-12(13)17/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 299.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3585357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).