5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine

C17H17ClN4 — CID 59311778

IUPAC5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCC1CCc2c(-c3ccc(Cl)cc3)nc3n[nH]c(N)c3c2C1
InChIInChI=1S/C17H17ClN4/c1-9-2-7-12-13(8-9)14-16(19)21-22-17(14)20-15(12)10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H3,19,20,21,22)
InChIKeyGFJICDQBMDRGMW-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.99
Rot. Bonds1

About 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine

5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (PubChem CID 59311778) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
PubChem CID59311778
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCC1CCc2c(-c3ccc(Cl)cc3)nc3n[nH]c(N)c3c2C1
InChIInChI=1S/C17H17ClN4/c1-9-2-7-12-13(8-9)14-16(19)21-22-17(14)20-15(12)10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H3,19,20,21,22)
InChIKeyGFJICDQBMDRGMW-UHFFFAOYSA-N
XLogP3.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The IUPAC name of 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (CID 59311778) is 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The canonical SMILES for 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is CC1CCc2c(-c3ccc(Cl)cc3)nc3n[nH]c(N)c3c2C1.
What is the InChIKey of 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The InChIKey is GFJICDQBMDRGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-9-2-7-12-13(8-9)14-16(19)21-22-17(14)20-15(12)10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H3,19,20,21,22).
What are the key properties of 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine has a molecular weight of 312.80 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is sourced from PubChem (CID 59311778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).