1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C14H17F2N3O — CID 115821686

IUPAC1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2N3O/c1-17-12(7-10-8-18-19(2)9-10)11-5-3-4-6-13(11)20-14(15)16/h3-6,8-9,12,14,17H,7H2,1-2H3
InChIKeyJBHHDSDZCYVBSO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.52
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115821686) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115821686
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2N3O/c1-17-12(7-10-8-18-19(2)9-10)11-5-3-4-6-13(11)20-14(15)16/h3-6,8-9,12,14,17H,7H2,1-2H3
InChIKeyJBHHDSDZCYVBSO-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822011
N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
CID 105113637
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 81305139
1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
CID 115834429
N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60883036
2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115847852
3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide
CID 65236190
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821781
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine
CID 114755156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 115821686) is 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CNC(Cc1cnn(C)c1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is JBHHDSDZCYVBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-17-12(7-10-8-18-19(2)9-10)11-5-3-4-6-13(11)20-14(15)16/h3-6,8-9,12,14,17H,7H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115821686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).