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

C17H13ClF3N3 — CID 66614505

IUPAC4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cccc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H13ClF3N3/c1-9-15(11-7-6-10(19)8-12(11)18)17(24(2)23-9)22-16-13(20)4-3-5-14(16)21/h3-8,22H,1-2H3
InChIKeyOJTSHHXIWDLHGO-UHFFFAOYSA-N
MW351.76 g/mol
LogP5.21
Rot. Bonds3

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

4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 66614505) has the molecular formula C17H13ClF3N3 and a molecular weight of 351.76 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID66614505
Molecular FormulaC17H13ClF3N3
Molecular Weight351.76 g/mol
Exact Mass351.08
IUPAC Name4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cccc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H13ClF3N3/c1-9-15(11-7-6-10(19)8-12(11)18)17(24(2)23-9)22-16-13(20)4-3-5-14(16)21/h3-8,22H,1-2H3
InChIKeyOJTSHHXIWDLHGO-UHFFFAOYSA-N
XLogP5.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.76
LogP ≤ 55.21
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-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 66614505) is 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(Nc2c(F)cccc2F)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is OJTSHHXIWDLHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3/c1-9-15(11-7-6-10(19)8-12(11)18)17(24(2)23-9)22-16-13(20)4-3-5-14(16)21/h3-8,22H,1-2H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 351.76 g/mol, XLogP of 5.21, 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-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 66614505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).