1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

C13H15F2N3O — CID 63036962

IUPAC1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Oc1cccc(F)c1F
InChIInChI=1S/C13H15F2N3O/c1-8-9(7-16-2)13(18(3)17-8)19-11-6-4-5-10(14)12(11)15/h4-6,16H,7H2,1-3H3
InChIKeyILKRTVUSRSUWSE-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.52
Rot. Bonds4

About 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 63036962) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID63036962
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Oc1cccc(F)c1F
InChIInChI=1S/C13H15F2N3O/c1-8-9(7-16-2)13(18(3)17-8)19-11-6-4-5-10(14)12(11)15/h4-6,16H,7H2,1-3H3
InChIKeyILKRTVUSRSUWSE-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43282617
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
1-[5-(5-bromo-2-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114674233
1-[5-(4-bromo-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 65201509
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
1-[5-(3-bromo-5-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 81332320
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
N-[[5-(2-fluoro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64855617
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283294
5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017182
1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189380
2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63815246

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 63036962) is 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1Oc1cccc(F)c1F.
What is the InChIKey of 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is ILKRTVUSRSUWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-8-9(7-16-2)13(18(3)17-8)19-11-6-4-5-10(14)12(11)15/h4-6,16H,7H2,1-3H3.
What are the key properties of 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 267.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63036962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).