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

C12H16F3N5 — CID 122167858

IUPAC1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
SMILESCCn1cc(C)c(NCc2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C12H16F3N5/c1-3-19-6-9(2)11(18-19)16-4-10-5-17-20(7-10)8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyRASDFVPCGPCYPG-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.58
Rot. Bonds5

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

1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine (PubChem CID 122167858) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
PubChem CID122167858
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
SMILESCCn1cc(C)c(NCc2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C12H16F3N5/c1-3-19-6-9(2)11(18-19)16-4-10-5-17-20(7-10)8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyRASDFVPCGPCYPG-UHFFFAOYSA-N
XLogP2.58
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine with MolForge

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Related Compounds

1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166940
1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
CID 126964008
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167868
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964358
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
CID 122167702
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]butan-1-amine;hydrochloride
CID 126964946
3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964248
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 126965424
1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine
CID 122169272
4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-propan-2-ylpyrazol-3-amine
CID 122167592
4-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 121207449

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine (CID 122167858) is 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine is CCn1cc(C)c(NCc2cnn(CC(F)(F)F)c2)n1.
What is the InChIKey of 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine?
The InChIKey is RASDFVPCGPCYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-3-19-6-9(2)11(18-19)16-4-10-5-17-20(7-10)8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine?
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine has a molecular weight of 287.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 122167858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).