3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride

C11H15ClF3N5O — CID 126964248

IUPAC3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
SMILESCOc1nn(C)cc1NCc1cnn(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3N5O.ClH/c1-18-6-9(10(17-18)20-2)15-3-8-4-16-19(5-8)7-11(12,13)14;/h4-6,15H,3,7H2,1-2H3;1H
InChIKeyAVYWOKAPODHNOC-UHFFFAOYSA-N
MW325.72 g/mol
LogP2.22
Rot. Bonds5

About 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride

3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126964248) has the molecular formula C11H15ClF3N5O and a molecular weight of 325.72 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
PubChem CID126964248
Molecular FormulaC11H15ClF3N5O
Molecular Weight325.72 g/mol
Exact Mass325.09
IUPAC Name3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
SMILESCOc1nn(C)cc1NCc1cnn(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3N5O.ClH/c1-18-6-9(10(17-18)20-2)15-3-8-4-16-19(5-8)7-11(12,13)14;/h4-6,15H,3,7H2,1-2H3;1H
InChIKeyAVYWOKAPODHNOC-UHFFFAOYSA-N
XLogP2.22
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride with MolForge

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Related Compounds

3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964358
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167868
1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
CID 126964008
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167934
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126967836
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride
CID 126965086
N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126966130
3-bromo-1-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole
CID 169193022
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
CID 122167858
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
2-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]ethanamine;hydrochloride
CID 126965303

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride (CID 126964248) is 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride is COc1nn(C)cc1NCc1cnn(CC(F)(F)F)c1.Cl.
What is the InChIKey of 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is AVYWOKAPODHNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O.ClH/c1-18-6-9(10(17-18)20-2)15-3-8-4-16-19(5-8)7-11(12,13)14;/h4-6,15H,3,7H2,1-2H3;1H.
What are the key properties of 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 325.72 g/mol, XLogP of 2.22, 5 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-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126964248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).