3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine

C11H14F3N5O — CID 122167934

IUPAC3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C11H14F3N5O/c1-18-5-7(9(16-18)11(12,13)14)4-15-8-6-19(2)17-10(8)20-3/h5-6,15H,4H2,1-3H3
InChIKeyIRHDWGJMGKQQOB-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.79
Rot. Bonds4

About 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine

3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine (PubChem CID 122167934) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
PubChem CID122167934
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C11H14F3N5O/c1-18-5-7(9(16-18)11(12,13)14)4-15-8-6-19(2)17-10(8)20-3/h5-6,15H,4H2,1-3H3
InChIKeyIRHDWGJMGKQQOB-UHFFFAOYSA-N
XLogP1.79
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965310
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126967836
3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964248
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,4,5-trichloroaniline
CID 83092160
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,4,5-trifluoroaniline
CID 83090340
3-tert-butyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133495057
N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126966130
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167928
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 83092162
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride
CID 126965086
6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile
CID 133421869
3-methylsulfonyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-nitroaniline
CID 133414537

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The IUPAC name of 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine (CID 122167934) is 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine is COc1nn(C)cc1NCc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The InChIKey is IRHDWGJMGKQQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-18-5-7(9(16-18)11(12,13)14)4-15-8-6-19(2)17-10(8)20-3/h5-6,15H,4H2,1-3H3.
What are the key properties of 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine has a molecular weight of 289.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 122167934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).