1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine

C12H16F3N5 — CID 19626307

IUPAC1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
SMILESCCn1nc(NCc2cc(C(F)(F)F)n(C)n2)cc1C
InChIInChI=1S/C12H16F3N5/c1-4-20-8(2)5-11(18-20)16-7-9-6-10(12(13,14)15)19(3)17-9/h5-6H,4,7H2,1-3H3,(H,16,18)
InChIKeyXEDUDMWLTDIKNF-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.58
Rot. Bonds4

About 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine

1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine (PubChem CID 19626307) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
PubChem CID19626307
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
SMILESCCn1nc(NCc2cc(C(F)(F)F)n(C)n2)cc1C
InChIInChI=1S/C12H16F3N5/c1-4-20-8(2)5-11(18-20)16-7-9-6-10(12(13,14)15)19(3)17-9/h5-6H,4,7H2,1-3H3,(H,16,18)
InChIKeyXEDUDMWLTDIKNF-UHFFFAOYSA-N
XLogP2.58
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine (CID 19626307) is 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine is CCn1nc(NCc2cc(C(F)(F)F)n(C)n2)cc1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The InChIKey is XEDUDMWLTDIKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-4-20-8(2)5-11(18-20)16-7-9-6-10(12(13,14)15)19(3)17-9/h5-6H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine has a molecular weight of 287.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19626307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).