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

C12H21F3N4 — CID 55009264

IUPACN-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(CC)CC(F)(F)F
InChIInChI=1S/C12H21F3N4/c1-5-16-7-10-9(3)17-18(4)11(10)19(6-2)8-12(13,14)15/h16H,5-8H2,1-4H3
InChIKeyJTUHGNJKSYUJHN-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.23
Rot. Bonds6

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

N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55009264) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55009264
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC NameN-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(CC)CC(F)(F)F
InChIInChI=1S/C12H21F3N4/c1-5-16-7-10-9(3)17-18(4)11(10)19(6-2)8-12(13,14)15/h16H,5-8H2,1-4H3
InChIKeyJTUHGNJKSYUJHN-UHFFFAOYSA-N
XLogP2.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55009264) is N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCNCc1c(C)nn(C)c1N(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is JTUHGNJKSYUJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-5-16-7-10-9(3)17-18(4)11(10)19(6-2)8-12(13,14)15/h16H,5-8H2,1-4H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 278.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55009264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).