3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C17H13F3N6 — CID 126474117

IUPAC3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cccc(C(F)(F)F)c4)nccn23)cn1
InChIInChI=1S/C17H13F3N6/c1-25-10-11(8-23-25)14-9-22-16-15(21-5-6-26(14)16)24-13-4-2-3-12(7-13)17(18,19)20/h2-10H,1H3,(H,21,24)
InChIKeyWGSMSCOKBPZFQG-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.89
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine

3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126474117) has the molecular formula C17H13F3N6 and a molecular weight of 358.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID126474117
Molecular FormulaC17H13F3N6
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cccc(C(F)(F)F)c4)nccn23)cn1
InChIInChI=1S/C17H13F3N6/c1-25-10-11(8-23-25)14-9-22-16-15(21-5-6-26(14)16)24-13-4-2-3-12(7-13)17(18,19)20/h2-10H,1H3,(H,21,24)
InChIKeyWGSMSCOKBPZFQG-UHFFFAOYSA-N
XLogP3.89
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 126474117) is 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine is Cn1cc(-c2cnc3c(Nc4cccc(C(F)(F)F)c4)nccn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WGSMSCOKBPZFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6/c1-25-10-11(8-23-25)14-9-22-16-15(21-5-6-26(14)16)24-13-4-2-3-12(7-13)17(18,19)20/h2-10H,1H3,(H,21,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 358.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126474117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).