N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine

C16H20F3N3O2 — CID 136571896

IUPACN-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(c1ccc(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-5-11-12(9-22(2)21-11)20-15(16(17,18)19)10-6-7-13(23-3)14(8-10)24-4/h6-9,15,20H,5H2,1-4H3
InChIKeyMYSWMNVOIOJPDA-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.72
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine

N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 136571896) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID136571896
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(c1ccc(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-5-11-12(9-22(2)21-11)20-15(16(17,18)19)10-6-7-13(23-3)14(8-10)24-4/h6-9,15,20H,5H2,1-4H3
InChIKeyMYSWMNVOIOJPDA-UHFFFAOYSA-N
XLogP3.72
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932487
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932597
3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115923177
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
(2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol
CID 136588867
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
CID 112671170
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 107462452

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine (CID 136571896) is N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(c1ccc(OC)c(OC)c1)C(F)(F)F.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is MYSWMNVOIOJPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-5-11-12(9-22(2)21-11)20-15(16(17,18)19)10-6-7-13(23-3)14(8-10)24-4/h6-9,15,20H,5H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 343.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 136571896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).