2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde

C20H16N2O — CID 102203138

IUPAC2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
SMILESCc1ccc2cc(-c3ccccc3)n3nc(C)c(C=O)c3c2c1
InChIInChI=1S/C20H16N2O/c1-13-8-9-16-11-19(15-6-4-3-5-7-15)22-20(17(16)10-13)18(12-23)14(2)21-22/h3-12H,1-2H3
InChIKeyUGCXVYDWRLONSG-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.58
Rot. Bonds2

About 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde

2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde (PubChem CID 102203138) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
PubChem CID102203138
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
SMILESCc1ccc2cc(-c3ccccc3)n3nc(C)c(C=O)c3c2c1
InChIInChI=1S/C20H16N2O/c1-13-8-9-16-11-19(15-6-4-3-5-7-15)22-20(17(16)10-13)18(12-23)14(2)21-22/h3-12H,1-2H3
InChIKeyUGCXVYDWRLONSG-UHFFFAOYSA-N
XLogP4.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.58
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

5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
CID 102203143
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
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-methyl-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328562
1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328809
2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939934
5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
CID 122382936
3-chloro-6-methyl-1-phenylisoquinoline-4-carbaldehyde
CID 14567289
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
7-methylnaphthalene-1-carbaldehyde
CID 15657410
2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297222
2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297279

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde?
The IUPAC name of 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde (CID 102203138) is 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde.
What is the SMILES notation for 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde?
The canonical SMILES for 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde is Cc1ccc2cc(-c3ccccc3)n3nc(C)c(C=O)c3c2c1.
What is the InChIKey of 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde?
The InChIKey is UGCXVYDWRLONSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-13-8-9-16-11-19(15-6-4-3-5-7-15)22-20(17(16)10-13)18(12-23)14(2)21-22/h3-12H,1-2H3.
What are the key properties of 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde?
2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde has a molecular weight of 300.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-phenylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde is sourced from PubChem (CID 102203138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).