4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C11H19F3N4 — CID 55235807

IUPAC4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCN(CC(F)(F)F)c1c(CCN)c(C)nn1C
InChIInChI=1S/C11H19F3N4/c1-4-18(7-11(12,13)14)10-9(5-6-15)8(2)16-17(10)3/h4-7,15H2,1-3H3
InChIKeyRHSMBVOGSYQFNU-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.62
Rot. Bonds5

About 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55235807) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55235807
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCN(CC(F)(F)F)c1c(CCN)c(C)nn1C
InChIInChI=1S/C11H19F3N4/c1-4-18(7-11(12,13)14)10-9(5-6-15)8(2)16-17(10)3/h4-7,15H2,1-3H3
InChIKeyRHSMBVOGSYQFNU-UHFFFAOYSA-N
XLogP1.62
TPSA47.08 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N,N,1,3-tetramethylpyrazol-5-amine
CID 68381580
1,6-Dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole
CID 11009059
1-[2,5-Dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4,4-dimethylpyridine
CID 122484654
2-cyclopentyl-N,4-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 139354629
2-Cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 144862318
4-Ethyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783363
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008876
4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008928
N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009217
N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009264
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009267

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55235807) is 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCN(CC(F)(F)F)c1c(CCN)c(C)nn1C.
What is the InChIKey of 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is RHSMBVOGSYQFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-4-18(7-11(12,13)14)10-9(5-6-15)8(2)16-17(10)3/h4-7,15H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 264.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55235807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).