1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine

C13H15F2N3 — CID 112742312

IUPAC1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1c(C)cnn1C
InChIInChI=1S/C13H15F2N3/c1-8-7-17-18(3)13(8)12(16-2)9-4-10(14)6-11(15)5-9/h4-7,12,16H,1-3H3
InChIKeyUWDXRQMCLKZFIK-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.32
Rot. Bonds3

About 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine

1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 112742312) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine
PubChem CID112742312
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1c(C)cnn1C
InChIInChI=1S/C13H15F2N3/c1-8-7-17-18(3)13(8)12(16-2)9-4-10(14)6-11(15)5-9/h4-7,12,16H,1-3H3
InChIKeyUWDXRQMCLKZFIK-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114648781
1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
[(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105301848
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584482
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047226
1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115851517
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755909

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine (CID 112742312) is 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine is CNC(c1cc(F)cc(F)c1)c1c(C)cnn1C.
What is the InChIKey of 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is UWDXRQMCLKZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8-7-17-18(3)13(8)12(16-2)9-4-10(14)6-11(15)5-9/h4-7,12,16H,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine?
1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 112742312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).