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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Related Compounds

4-(4-Fluorophenyl)-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
CID 56924694
N'-(2-chloropyrimidin-4-yl)-N-(7-chloro-4-quinolyl)propane-1,3-diamine
CID 71736284
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 24971415
1-(3,5-dichlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093258
1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093263
N'-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-N-(7-chloro-4-quinolyl)ethane-1,2-diamine
CID 72205601
N'-[(1-tert-butyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
CID 72725671
N'-[(1-tert-butyltetrazol-5-yl)-(3,4-dichlorophenyl)methyl]-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
CID 72725672
N-(7-chloro-4-quinolyl)-N'-(4-pyrrolidin-1-ylpyrimidin-2-yl)propane-1,3-diamine
CID 76310686
6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine
CID 10426186
7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
CID 16718997
7-chloro-N-[3-(diethylaminomethyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
CID 16718998

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).