4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine

C17H13Cl2F2N3 — CID 66612523

IUPAC4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cccc2Cl)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H13Cl2F2N3/c1-9-15(11-7-6-10(20)8-13(11)19)17(24(2)23-9)22-16-12(18)4-3-5-14(16)21/h3-8,22H,1-2H3
InChIKeyAQSDPFVDUFPUSI-UHFFFAOYSA-N
MW368.21 g/mol
LogP5.72
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine

4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 66612523) has the molecular formula C17H13Cl2F2N3 and a molecular weight of 368.21 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID66612523
Molecular FormulaC17H13Cl2F2N3
Molecular Weight368.21 g/mol
Exact Mass367.05
IUPAC Name4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cccc2Cl)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H13Cl2F2N3/c1-9-15(11-7-6-10(20)8-13(11)19)17(24(2)23-9)22-16-12(18)4-3-5-14(16)21/h3-8,22H,1-2H3
InChIKeyAQSDPFVDUFPUSI-UHFFFAOYSA-N
XLogP5.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.21
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 66612523) is 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(Nc2c(F)cccc2Cl)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is AQSDPFVDUFPUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2N3/c1-9-15(11-7-6-10(20)8-13(11)19)17(24(2)23-9)22-16-12(18)4-3-5-14(16)21/h3-8,22H,1-2H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 368.21 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 66612523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).