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

C17H12Cl2F3N3 — CID 56956271

IUPACN-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H12Cl2F3N3/c1-8-15(11-4-3-10(20)7-12(11)19)17(25(2)24-8)23-16-13(21)5-9(18)6-14(16)22/h3-7,23H,1-2H3
InChIKeyQKEKUMRXLOHZQJ-UHFFFAOYSA-N
MW386.20 g/mol
LogP5.86
Rot. Bonds3

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

N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 56956271) has the molecular formula C17H12Cl2F3N3 and a molecular weight of 386.20 g/mol. Its IUPAC name is N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID56956271
Molecular FormulaC17H12Cl2F3N3
Molecular Weight386.20 g/mol
Exact Mass385.04
IUPAC NameN-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H12Cl2F3N3/c1-8-15(11-4-3-10(20)7-12(11)19)17(25(2)24-8)23-16-13(21)5-9(18)6-14(16)22/h3-7,23H,1-2H3
InChIKeyQKEKUMRXLOHZQJ-UHFFFAOYSA-N
XLogP5.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.20
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 56956271) is N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1ccc(F)cc1Cl.
What is the InChIKey of N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is QKEKUMRXLOHZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N3/c1-8-15(11-4-3-10(20)7-12(11)19)17(25(2)24-8)23-16-13(21)5-9(18)6-14(16)22/h3-7,23H,1-2H3.
What are the key properties of N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 386.20 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-difluorophenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 56956271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).