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

C19H17Cl2N3 — CID 3993934

IUPAC1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1cc(C)cc(-c2nn(-c3cc(Cl)cc(Cl)c3)c3c2CCN3)c1
InChIInChI=1S/C19H17Cl2N3/c1-11-5-12(2)7-13(6-11)18-17-3-4-22-19(17)24(23-18)16-9-14(20)8-15(21)10-16/h5-10,22H,3-4H2,1-2H3
InChIKeyUNPDNRKJMSYJJQ-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.43
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3993934) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3993934
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1cc(C)cc(-c2nn(-c3cc(Cl)cc(Cl)c3)c3c2CCN3)c1
InChIInChI=1S/C19H17Cl2N3/c1-11-5-12(2)7-13(6-11)18-17-3-4-22-19(17)24(23-18)16-9-14(20)8-15(21)10-16/h5-10,22H,3-4H2,1-2H3
InChIKeyUNPDNRKJMSYJJQ-UHFFFAOYSA-N
XLogP5.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4591284
1-(3,5-dichlorophenyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3493774
1-(3,5-dichlorophenyl)-3-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4593234
1-(3,4-dichlorophenyl)-3-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3663958
3-(3-chlorophenyl)-1-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4263144
1-(3,5-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3498666
1,3-bis(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4539869
3-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4544798
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4024636
1-(3,5-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4259240
1-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3303940
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3253444

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3993934) is 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cc1cc(C)cc(-c2nn(-c3cc(Cl)cc(Cl)c3)c3c2CCN3)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is UNPDNRKJMSYJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3/c1-11-5-12(2)7-13(6-11)18-17-3-4-22-19(17)24(23-18)16-9-14(20)8-15(21)10-16/h5-10,22H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 358.27 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3993934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).