N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine

C12H16F3N5 — CID 146142076

IUPACN-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine
SMILESCCN(Cc1nccn1CC(F)(F)F)c1cc(C)[nH]n1
InChIInChI=1S/C12H16F3N5/c1-3-19(10-6-9(2)17-18-10)7-11-16-4-5-20(11)8-12(13,14)15/h4-6H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyVIOAWCVKIPTYLW-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine

N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine (PubChem CID 146142076) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine
PubChem CID146142076
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC NameN-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine
SMILESCCN(Cc1nccn1CC(F)(F)F)c1cc(C)[nH]n1
InChIInChI=1S/C12H16F3N5/c1-3-19(10-6-9(2)17-18-10)7-11-16-4-5-20(11)8-12(13,14)15/h4-6H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyVIOAWCVKIPTYLW-UHFFFAOYSA-N
XLogP2.50
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900911
6-Methyl-1H-imidazo[1,2-b]pyrazole
CID 543171
3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 71685845
Dimethyl({2-[1-(1H-pyrazol-3-ylmethyl)pyrrolidin-2-YL]pyrimidin-4-YL}methyl)amine
CID 110117145
2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193829
7-Imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35417569
1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
N-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-amine
CID 130016010
1-[2-(Dimethylsulfamoylamino)ethyl]-6-methylimidazo[1,2-b]pyrazole
CID 91629249
4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 100652732
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 138018656
6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)-1H-imidazo[2,1-c][1,2,4]triazole
CID 22090568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine?
The IUPAC name of N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine (CID 146142076) is N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine is CCN(Cc1nccn1CC(F)(F)F)c1cc(C)[nH]n1.
What is the InChIKey of N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine?
The InChIKey is VIOAWCVKIPTYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-3-19(10-6-9(2)17-18-10)7-11-16-4-5-20(11)8-12(13,14)15/h4-6H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine?
N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine has a molecular weight of 287.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 146142076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).