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

C18H15ClF3N3O — CID 66612391

IUPACN-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine
SMILESCOc1cc(F)c(-c2c(C)nn(C)c2Nc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C18H15ClF3N3O/c1-9-16(17-13(21)7-11(26-3)8-14(17)22)18(25(2)24-9)23-15-5-4-10(20)6-12(15)19/h4-8,23H,1-3H3
InChIKeyHLRSVYVMAUGUEA-UHFFFAOYSA-N
MW381.79 g/mol
LogP5.22
Rot. Bonds4

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

N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 66612391) has the molecular formula C18H15ClF3N3O and a molecular weight of 381.79 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID66612391
Molecular FormulaC18H15ClF3N3O
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine
SMILESCOc1cc(F)c(-c2c(C)nn(C)c2Nc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C18H15ClF3N3O/c1-9-16(17-13(21)7-11(26-3)8-14(17)22)18(25(2)24-9)23-15-5-4-10(20)6-12(15)19/h4-8,23H,1-3H3
InChIKeyHLRSVYVMAUGUEA-UHFFFAOYSA-N
XLogP5.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.79
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine (CID 66612391) is N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine is COc1cc(F)c(-c2c(C)nn(C)c2Nc2ccc(F)cc2Cl)c(F)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is HLRSVYVMAUGUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O/c1-9-16(17-13(21)7-11(26-3)8-14(17)22)18(25(2)24-9)23-15-5-4-10(20)6-12(15)19/h4-8,23H,1-3H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine?
N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 381.79 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 66612391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).