2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine

C13H15F2N3 — CID 102803075

IUPAC2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C13H15F2N3/c1-8-11(7-18(2)17-8)13(16)6-9-5-10(14)3-4-12(9)15/h3-5,7,13H,6,16H2,1-2H3
InChIKeyAWCZMVZCJSRUPR-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.25
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine

2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 102803075) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID102803075
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C13H15F2N3/c1-8-11(7-18(2)17-8)13(16)6-9-5-10(14)3-4-12(9)15/h3-5,7,13H,6,16H2,1-2H3
InChIKeyAWCZMVZCJSRUPR-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103042987
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803077
2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200827
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 102803513
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102804306
2-(2,6-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803154
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 102803075) is 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)cc1C(N)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is AWCZMVZCJSRUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8-11(7-18(2)17-8)13(16)6-9-5-10(14)3-4-12(9)15/h3-5,7,13H,6,16H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 102803075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).