N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine

C11H19F3N4 — CID 55046506

IUPACN-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
SMILESCCNc1c(CN(C)CC(F)(F)F)c(C)nn1C
InChIInChI=1S/C11H19F3N4/c1-5-15-10-9(8(2)16-18(10)4)6-17(3)7-11(12,13)14/h15H,5-7H2,1-4H3
InChIKeyFUOPSDZIUOKWTQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine

N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine (PubChem CID 55046506) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
PubChem CID55046506
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC NameN-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
SMILESCCNc1c(CN(C)CC(F)(F)F)c(C)nn1C
InChIInChI=1S/C11H19F3N4/c1-5-15-10-9(8(2)16-18(10)4)6-17(3)7-11(12,13)14/h15H,5-7H2,1-4H3
InChIKeyFUOPSDZIUOKWTQ-UHFFFAOYSA-N
XLogP2.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]acetamide
CID 53584323
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 56822597
1-tert-butyl-3-methyl-6-(trifluoromethyl)-7H-pyrazolo[5,4-d]pyrimidine-4-thione
CID 136264372
N,N-diethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 12479247
5-Amino-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 22079581
N5-Ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine
CID 43554024
N-isopropyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 71633044
5-Amino-1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 85701622
5-Amino-1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100762268
5-Amino-1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100763031
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine (CID 55046506) is N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine is CCNc1c(CN(C)CC(F)(F)F)c(C)nn1C.
What is the InChIKey of N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine?
The InChIKey is FUOPSDZIUOKWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-5-15-10-9(8(2)16-18(10)4)6-17(3)7-11(12,13)14/h15H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine?
N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine has a molecular weight of 264.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 55046506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).