3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine

C18H12Cl2N4 — CID 44526651

IUPAC3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(Cl)c2)nn1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H12Cl2N4/c19-12-3-1-2-11(8-12)15-10-18(21)24(23-15)17-6-7-22-16-9-13(20)4-5-14(16)17/h1-10H,21H2
InChIKeyZTBGSNUAUVPOLX-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.98
Rot. Bonds2

About 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine

3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine (PubChem CID 44526651) has the molecular formula C18H12Cl2N4 and a molecular weight of 355.23 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine
PubChem CID44526651
Molecular FormulaC18H12Cl2N4
Molecular Weight355.23 g/mol
Exact Mass354.04
IUPAC Name3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(Cl)c2)nn1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H12Cl2N4/c19-12-3-1-2-11(8-12)15-10-18(21)24(23-15)17-6-7-22-16-9-13(20)4-5-14(16)17/h1-10H,21H2
InChIKeyZTBGSNUAUVPOLX-UHFFFAOYSA-N
XLogP4.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine (CID 44526651) is 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine is Nc1cc(-c2cccc(Cl)c2)nn1-c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine?
The InChIKey is ZTBGSNUAUVPOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4/c19-12-3-1-2-11(8-12)15-10-18(21)24(23-15)17-6-7-22-16-9-13(20)4-5-14(16)17/h1-10H,21H2.
What are the key properties of 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine?
3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine has a molecular weight of 355.23 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(7-chloroquinolin-4-yl)pyrazol-5-amine is sourced from PubChem (CID 44526651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).