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

C15H11Cl2N3S — CID 3493774

IUPAC1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESClc1cc(Cl)cc(-n2nc(-c3ccsc3)c3c2NCC3)c1
InChIInChI=1S/C15H11Cl2N3S/c16-10-5-11(17)7-12(6-10)20-15-13(1-3-18-15)14(19-20)9-2-4-21-8-9/h2,4-8,18H,1,3H2
InChIKeyBCZZJPFUIHWSLG-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.88
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3493774) has the molecular formula C15H11Cl2N3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3493774
Molecular FormulaC15H11Cl2N3S
Molecular Weight336.25 g/mol
Exact Mass335.01
IUPAC Name1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESClc1cc(Cl)cc(-n2nc(-c3ccsc3)c3c2NCC3)c1
InChIInChI=1S/C15H11Cl2N3S/c16-10-5-11(17)7-12(6-10)20-15-13(1-3-18-15)14(19-20)9-2-4-21-8-9/h2,4-8,18H,1,3H2
InChIKeyBCZZJPFUIHWSLG-UHFFFAOYSA-N
XLogP4.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3-bromophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4537765
1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3993934
1-(2,5-dimethylphenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4573353
1-(4-chloro-2-methylphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3939751
1-(3,5-dichlorophenyl)-3-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4593234
1-(3,5-dichlorophenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4031592
1-(3,5-dichlorophenyl)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4591284
1-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3303940
1-(3,5-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3498666
1-(4-chlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3887534
1-(3,5-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4259240
1-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3994174

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3493774) is 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Clc1cc(Cl)cc(-n2nc(-c3ccsc3)c3c2NCC3)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is BCZZJPFUIHWSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3S/c16-10-5-11(17)7-12(6-10)20-15-13(1-3-18-15)14(19-20)9-2-4-21-8-9/h2,4-8,18H,1,3H2.
What are the key properties of 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 336.25 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3493774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).