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

C27H17ClF3N3 — CID 162719477

IUPAC4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine
SMILESFc1ccc(-c2c(-c3ccccc3)nn(-c3ccccc3)c2Nc2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C27H17ClF3N3/c28-21-16-18(29)14-15-20(21)24-25(17-8-3-1-4-9-17)33-34(19-10-5-2-6-11-19)27(24)32-26-22(30)12-7-13-23(26)31/h1-16,32H
InChIKeyDYXZQJOVWYYFQP-UHFFFAOYSA-N
MW475.90 g/mol
LogP8.02
Rot. Bonds5

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

4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine (PubChem CID 162719477) has the molecular formula C27H17ClF3N3 and a molecular weight of 475.90 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine
PubChem CID162719477
Molecular FormulaC27H17ClF3N3
Molecular Weight475.90 g/mol
Exact Mass475.11
IUPAC Name4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine
SMILESFc1ccc(-c2c(-c3ccccc3)nn(-c3ccccc3)c2Nc2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C27H17ClF3N3/c28-21-16-18(29)14-15-20(21)24-25(17-8-3-1-4-9-17)33-34(19-10-5-2-6-11-19)27(24)32-26-22(30)12-7-13-23(26)31/h1-16,32H
InChIKeyDYXZQJOVWYYFQP-UHFFFAOYSA-N
XLogP8.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.90
LogP ≤ 58.02
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-diphenylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine (CID 162719477) is 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine is Fc1ccc(-c2c(-c3ccccc3)nn(-c3ccccc3)c2Nc2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine?
The InChIKey is DYXZQJOVWYYFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17ClF3N3/c28-21-16-18(29)14-15-20(21)24-25(17-8-3-1-4-9-17)33-34(19-10-5-2-6-11-19)27(24)32-26-22(30)12-7-13-23(26)31/h1-16,32H.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-N-(2,6-difluorophenyl)-1,3-diphenylpyrazol-5-amine has a molecular weight of 475.90 g/mol, XLogP of 8.02, 5 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-diphenylpyrazol-5-amine is sourced from PubChem (CID 162719477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).