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

C19H17Cl2N3 — CID 5004042

IUPAC3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCCc1ccccc1-n1nc(-c2ccc(Cl)c(Cl)c2)c2c1NCC2
InChIInChI=1S/C19H17Cl2N3/c1-2-12-5-3-4-6-17(12)24-19-14(9-10-22-19)18(23-24)13-7-8-15(20)16(21)11-13/h3-8,11,22H,2,9-10H2,1H3
InChIKeyJSCBWBITHFHCMU-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.38
Rot. Bonds3

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

3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 5004042) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID5004042
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCCc1ccccc1-n1nc(-c2ccc(Cl)c(Cl)c2)c2c1NCC2
InChIInChI=1S/C19H17Cl2N3/c1-2-12-5-3-4-6-17(12)24-19-14(9-10-22-19)18(23-24)13-7-8-15(20)16(21)11-13/h3-8,11,22H,2,9-10H2,1H3
InChIKeyJSCBWBITHFHCMU-UHFFFAOYSA-N
XLogP5.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5126547
3-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3650016
1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3887536
1-(2,5-dichlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3500540
1-(3,4-dichlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3596369
4-[1-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-3-yl]-N,N-dimethylaniline
CID 3892368
1-(3-bromophenyl)-3-(3,4-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3908095
3-(3-bromophenyl)-1-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4255056
1-(2-ethylphenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4312974
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5031210
1-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3624418
3-(2,3-dimethoxyphenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3663955

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 5004042) is 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is CCc1ccccc1-n1nc(-c2ccc(Cl)c(Cl)c2)c2c1NCC2.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is JSCBWBITHFHCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3/c1-2-12-5-3-4-6-17(12)24-19-14(9-10-22-19)18(23-24)13-7-8-15(20)16(21)11-13/h3-8,11,22H,2,9-10H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 358.27 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(2-ethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 5004042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).