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

C13H15F2N3 — CID 16792692

IUPAC1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(CC(N)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H15F2N3/c1-8-5-9(2)18(17-8)7-13(16)10-3-4-11(14)12(15)6-10/h3-6,13H,7,16H2,1-2H3
InChIKeyMUUCFTBBWWXMIP-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.48
Rot. Bonds3

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

1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 16792692) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID16792692
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(CC(N)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H15F2N3/c1-8-5-9(2)18(17-8)7-13(16)10-3-4-11(14)12(15)6-10/h3-6,13H,7,16H2,1-2H3
InChIKeyMUUCFTBBWWXMIP-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 16643653
2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16783595
2-[2-amino-2-(3,4-difluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 107522560
3-[2-amino-2-(3,4-difluorophenyl)ethyl]pyrimidin-4-one
CID 107522672
1-(3,4-difluorophenyl)butane-1,3-diamine
CID 116933240
1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 82809655
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 116932454
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
1-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 63913503
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
1-(3,4-difluorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 107525083

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine (CID 16792692) is 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine is Cc1cc(C)n(CC(N)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is MUUCFTBBWWXMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8-5-9(2)18(17-8)7-13(16)10-3-4-11(14)12(15)6-10/h3-6,13H,7,16H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 16792692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).