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

C20H15ClN2 — CID 71485962

IUPAC2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline
SMILESClc1ccc(-c2cc3c4ccccc4cc(C4CC4)n3n2)cc1
InChIInChI=1S/C20H15ClN2/c21-16-9-7-13(8-10-16)18-12-20-17-4-2-1-3-15(17)11-19(14-5-6-14)23(20)22-18/h1-4,7-12,14H,5-6H2
InChIKeyMKFBMXGISAHUQW-UHFFFAOYSA-N
MW318.81 g/mol
LogP5.69
Rot. Bonds2

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

2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline (PubChem CID 71485962) has the molecular formula C20H15ClN2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline
PubChem CID71485962
Molecular FormulaC20H15ClN2
Molecular Weight318.81 g/mol
Exact Mass318.09
IUPAC Name2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline
SMILESClc1ccc(-c2cc3c4ccccc4cc(C4CC4)n3n2)cc1
InChIInChI=1S/C20H15ClN2/c21-16-9-7-13(8-10-16)18-12-20-17-4-2-1-3-15(17)11-19(14-5-6-14)23(20)22-18/h1-4,7-12,14H,5-6H2
InChIKeyMKFBMXGISAHUQW-UHFFFAOYSA-N
XLogP5.69
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.81
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 71723863
2-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 86760503
5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 67000939
2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline
CID 164927923
3-(4-chlorophenyl)-N-cyclohexylisoquinolin-1-amine
CID 53475014
5-chloro-2-phenylpyrazolo[1,5-a]quinazoline
CID 73334175
4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 71251956
9-(2,6-diphenylpyrimidin-4-yl)-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328615
N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 90297166
5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297173
1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine
CID 71252011
4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 54597102

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline (CID 71485962) is 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline is Clc1ccc(-c2cc3c4ccccc4cc(C4CC4)n3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline?
The InChIKey is MKFBMXGISAHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2/c21-16-9-7-13(8-10-16)18-12-20-17-4-2-1-3-15(17)11-19(14-5-6-14)23(20)22-18/h1-4,7-12,14H,5-6H2.
What are the key properties of 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline?
2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline has a molecular weight of 318.81 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-cyclopropylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 71485962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).