5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine

C17H13Cl3FN3 — CID 66614296

IUPAC5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(-c2ccc(F)cc2Cl)c1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3FN3/c1-9-16(22-15-6-3-10(18)7-14(15)20)17(24(2)23-9)12-5-4-11(21)8-13(12)19/h3-8,22H,1-2H3
InChIKeyRPQMAAAKQQBETA-UHFFFAOYSA-N
MW384.67 g/mol
LogP6.24
Rot. Bonds3

About 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine

5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 66614296) has the molecular formula C17H13Cl3FN3 and a molecular weight of 384.67 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine
PubChem CID66614296
Molecular FormulaC17H13Cl3FN3
Molecular Weight384.67 g/mol
Exact Mass383.02
IUPAC Name5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(-c2ccc(F)cc2Cl)c1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3FN3/c1-9-16(22-15-6-3-10(18)7-14(15)20)17(24(2)23-9)12-5-4-11(21)8-13(12)19/h3-8,22H,1-2H3
InChIKeyRPQMAAAKQQBETA-UHFFFAOYSA-N
XLogP6.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.67
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine (CID 66614296) is 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(-c2ccc(F)cc2Cl)c1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is RPQMAAAKQQBETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3FN3/c1-9-16(22-15-6-3-10(18)7-14(15)20)17(24(2)23-9)12-5-4-11(21)8-13(12)19/h3-8,22H,1-2H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine?
5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 384.67 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 66614296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).