1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C19H18ClN3O — CID 3939472

IUPAC1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCOc1cccc(-c2nn(-c3cc(Cl)ccc3C)c3c2CCN3)c1
InChIInChI=1S/C19H18ClN3O/c1-12-6-7-14(20)11-17(12)23-19-16(8-9-21-19)18(22-23)13-4-3-5-15(10-13)24-2/h3-7,10-11,21H,8-9H2,1-2H3
InChIKeyUJCNPDWVKOEJRL-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.48
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3939472) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3939472
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCOc1cccc(-c2nn(-c3cc(Cl)ccc3C)c3c2CCN3)c1
InChIInChI=1S/C19H18ClN3O/c1-12-6-7-14(20)11-17(12)23-19-16(8-9-21-19)18(22-23)13-4-3-5-15(10-13)24-2/h3-7,10-11,21H,8-9H2,1-2H3
InChIKeyUJCNPDWVKOEJRL-UHFFFAOYSA-N
XLogP4.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4031121
1-(5-chloro-2-methylphenyl)-3-naphthalen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3888845
1-(5-chloro-2-methylphenyl)-3-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3891520
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3521566
1-(4-chloro-2-methylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5193247
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4018458
1-(5-chloro-2-methylphenyl)-3-naphthalen-1-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4516281
1-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3624418
1-(4-chloro-2-methylphenyl)-3-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3922797
1-(2,5-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3903411
3-(3-methoxyphenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5032322
3-(3,5-dimethoxyphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4297368

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3939472) is 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is COc1cccc(-c2nn(-c3cc(Cl)ccc3C)c3c2CCN3)c1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is UJCNPDWVKOEJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-12-6-7-14(20)11-17(12)23-19-16(8-9-21-19)18(22-23)13-4-3-5-15(10-13)24-2/h3-7,10-11,21H,8-9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 339.83 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3939472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).