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

C15H10Cl3N3S — CID 3629641

IUPAC3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESClc1ccc(-n2nc(-c3ccc(Cl)s3)c3c2NCC3)c(Cl)c1
InChIInChI=1S/C15H10Cl3N3S/c16-8-1-2-11(10(17)7-8)21-15-9(5-6-19-15)14(20-21)12-3-4-13(18)22-12/h1-4,7,19H,5-6H2
InChIKeyDSYVBQOYILDXEA-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.53
Rot. Bonds2

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

3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3629641) has the molecular formula C15H10Cl3N3S and a molecular weight of 370.69 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3629641
Molecular FormulaC15H10Cl3N3S
Molecular Weight370.69 g/mol
Exact Mass368.97
IUPAC Name3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESClc1ccc(-n2nc(-c3ccc(Cl)s3)c3c2NCC3)c(Cl)c1
InChIInChI=1S/C15H10Cl3N3S/c16-8-1-2-11(10(17)7-8)21-15-9(5-6-19-15)14(20-21)12-3-4-13(18)22-12/h1-4,7,19H,5-6H2
InChIKeyDSYVBQOYILDXEA-UHFFFAOYSA-N
XLogP5.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3972534
1-(2,4-dichlorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3989603
1-(2,4-dichlorophenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3954664
1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3979622
1-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4031121
3-(5-chlorothiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
CID 3323546
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4024636
3-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4559567
3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3659542
1-(4-chloro-2-methylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5193247
1-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4998025
1-(2,5-dichlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3500540

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3629641) is 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Clc1ccc(-n2nc(-c3ccc(Cl)s3)c3c2NCC3)c(Cl)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is DSYVBQOYILDXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3S/c16-8-1-2-11(10(17)7-8)21-15-9(5-6-19-15)14(20-21)12-3-4-13(18)22-12/h1-4,7,19H,5-6H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 370.69 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3629641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).