N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

C18H24F2N4O — CID 124542975

IUPACN-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]1CN(C)CCO1
InChIInChI=1S/C18H24F2N4O/c1-12-16(10-21-9-15-11-23(3)6-7-25-15)13(2)24(22-12)18-5-4-14(19)8-17(18)20/h4-5,8,15,21H,6-7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyACSNFXCRNKCWDI-OAHLLOKOSA-N
MW350.41 g/mol
LogP2.19
Rot. Bonds5

About N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (PubChem CID 124542975) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
PubChem CID124542975
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC NameN-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]1CN(C)CCO1
InChIInChI=1S/C18H24F2N4O/c1-12-16(10-21-9-15-11-23(3)6-7-25-15)13(2)24(22-12)18-5-4-14(19)8-17(18)20/h4-5,8,15,21H,6-7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyACSNFXCRNKCWDI-OAHLLOKOSA-N
XLogP2.19
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
CID 119124710
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanamine
CID 97065536
N-[(2-bromo-4-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758037
2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
CID 56814833
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 47052353
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine
CID 154741660
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 51940559
(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95291844
N-[(5-bromo-2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95277799
N-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95278942

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (CID 124542975) is N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]1CN(C)CCO1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is ACSNFXCRNKCWDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-12-16(10-21-9-15-11-23(3)6-7-25-15)13(2)24(22-12)18-5-4-14(19)8-17(18)20/h4-5,8,15,21H,6-7,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 350.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 124542975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).