5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde

C19H13ClN2O — CID 102203143

IUPAC5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
SMILESCc1nn2c(-c3ccc(Cl)cc3)cc3ccccc3c2c1C=O
InChIInChI=1S/C19H13ClN2O/c1-12-17(11-23)19-16-5-3-2-4-14(16)10-18(22(19)21-12)13-6-8-15(20)9-7-13/h2-11H,1H3
InChIKeyIZZXAGLRWRPGSJ-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.93
Rot. Bonds2

About 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde

5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde (PubChem CID 102203143) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
PubChem CID102203143
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
SMILESCc1nn2c(-c3ccc(Cl)cc3)cc3ccccc3c2c1C=O
InChIInChI=1S/C19H13ClN2O/c1-12-17(11-23)19-16-5-3-2-4-14(16)10-18(22(19)21-12)13-6-8-15(20)9-7-13/h2-11H,1H3
InChIKeyIZZXAGLRWRPGSJ-UHFFFAOYSA-N
XLogP4.93
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
CID 102203138
11-methyl-8-phenyl-3-thia-9,10-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene-12-carbaldehyde
CID 102203141
5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
CID 122382936
1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
CID 102433500
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 71723863
1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 164946401
2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297279
1-methyl-5-phenyl-2-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140940022
2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939934
2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297222

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde?
The IUPAC name of 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde (CID 102203143) is 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde?
The canonical SMILES for 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde is Cc1nn2c(-c3ccc(Cl)cc3)cc3ccccc3c2c1C=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde?
The InChIKey is IZZXAGLRWRPGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c1-12-17(11-23)19-16-5-3-2-4-14(16)10-18(22(19)21-12)13-6-8-15(20)9-7-13/h2-11H,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde?
5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde has a molecular weight of 320.78 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde is sourced from PubChem (CID 102203143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).