3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane

C12H15F2N3 — CID 164916885

IUPAC3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane
SMILESCC.Cc1c(N)cc(F)c(-n2cccn2)c1F
InChIInChI=1S/C10H9F2N3.C2H6/c1-6-8(13)5-7(11)10(9(6)12)15-4-2-3-14-15;1-2/h2-5H,13H2,1H3;1-2H3
InChIKeyBIMGCBXZNMSGHH-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.07
Rot. Bonds1

About 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane

3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane (PubChem CID 164916885) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane.

Molecular Properties

Compound Name3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane
PubChem CID164916885
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane
SMILESCC.Cc1c(N)cc(F)c(-n2cccn2)c1F
InChIInChI=1S/C10H9F2N3.C2H6/c1-6-8(13)5-7(11)10(9(6)12)15-4-2-3-14-15;1-2/h2-5H,13H2,1H3;1-2H3
InChIKeyBIMGCBXZNMSGHH-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-bromo-2,6-difluorophenyl)pyrazole
CID 130121393
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole
CID 107085667
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
2-fluoro-6-pyrazol-1-ylaniline
CID 50989643
2-pyrazol-1-yl-3-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 22420279
5-chloro-2-methyl-6-pyrazol-1-ylpyridin-3-amine
CID 134610413
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
5-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 80853317
7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine
CID 83165173
ethane;7-fluoro-8-methylquinoxalin-5-amine
CID 177323268
3-amino-N-methyl-4-pyrazol-1-ylbenzamide
CID 82999431
1-(3-amino-4-pyrazol-1-ylphenyl)ethanone
CID 124702914

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane?
The IUPAC name of 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane (CID 164916885) is 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane.
What is the SMILES notation for 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane?
The canonical SMILES for 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane is CC.Cc1c(N)cc(F)c(-n2cccn2)c1F.
What is the InChIKey of 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane?
The InChIKey is BIMGCBXZNMSGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3.C2H6/c1-6-8(13)5-7(11)10(9(6)12)15-4-2-3-14-15;1-2/h2-5H,13H2,1H3;1-2H3.
What are the key properties of 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane?
3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane has a molecular weight of 239.27 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane is sourced from PubChem (CID 164916885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).