N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine

C18H15F3N4O3 — CID 171472064

IUPACN-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine
SMILESCOc1cc(F)c(N(c2ccc(F)cc2[N+](=O)[O-])c2cc(C)nn2C)c(F)c1
InChIInChI=1S/C18H15F3N4O3/c1-10-6-17(23(2)22-10)24(15-5-4-11(19)7-16(15)25(26)27)18-13(20)8-12(28-3)9-14(18)21/h4-9H,1-3H3
InChIKeyWWTRYOUAJQVRQM-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.53
Rot. Bonds5

About N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine

N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine (PubChem CID 171472064) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine
PubChem CID171472064
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine
SMILESCOc1cc(F)c(N(c2ccc(F)cc2[N+](=O)[O-])c2cc(C)nn2C)c(F)c1
InChIInChI=1S/C18H15F3N4O3/c1-10-6-17(23(2)22-10)24(15-5-4-11(19)7-16(15)25(26)27)18-13(20)8-12(28-3)9-14(18)21/h4-9H,1-3H3
InChIKeyWWTRYOUAJQVRQM-UHFFFAOYSA-N
XLogP4.53
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-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-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine?
The IUPAC name of N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine (CID 171472064) is N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine is COc1cc(F)c(N(c2ccc(F)cc2[N+](=O)[O-])c2cc(C)nn2C)c(F)c1.
What is the InChIKey of N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine?
The InChIKey is WWTRYOUAJQVRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-10-6-17(23(2)22-10)24(15-5-4-11(19)7-16(15)25(26)27)18-13(20)8-12(28-3)9-14(18)21/h4-9H,1-3H3.
What are the key properties of N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine?
N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine has a molecular weight of 392.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-4-methoxyphenyl)-N-(4-fluoro-2-nitrophenyl)-2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 171472064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).