1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine

C17H13F6N5O2 — CID 58119482

IUPAC1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1cc(-c2c(C(F)(F)F)nn(-c3nccnc3OC)c2N)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F6N5O2/c1-29-10-6-8(5-9(7-10)16(18,19)20)11-12(17(21,22)23)27-28(13(11)24)14-15(30-2)26-4-3-25-14/h3-7H,24H2,1-2H3
InChIKeyGVLMZJGWDBYNQU-UHFFFAOYSA-N
MW433.31 g/mol
LogP3.97
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine

1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 58119482) has the molecular formula C17H13F6N5O2 and a molecular weight of 433.31 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID58119482
Molecular FormulaC17H13F6N5O2
Molecular Weight433.31 g/mol
Exact Mass433.10
IUPAC Name1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1cc(-c2c(C(F)(F)F)nn(-c3nccnc3OC)c2N)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F6N5O2/c1-29-10-6-8(5-9(7-10)16(18,19)20)11-12(17(21,22)23)27-28(13(11)24)14-15(30-2)26-4-3-25-14/h3-7H,24H2,1-2H3
InChIKeyGVLMZJGWDBYNQU-UHFFFAOYSA-N
XLogP3.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine (CID 58119482) is 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine is COc1cc(-c2c(C(F)(F)F)nn(-c3nccnc3OC)c2N)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is GVLMZJGWDBYNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N5O2/c1-29-10-6-8(5-9(7-10)16(18,19)20)11-12(17(21,22)23)27-28(13(11)24)14-15(30-2)26-4-3-25-14/h3-7H,24H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine?
1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 433.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 58119482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).