6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine

C19H15F4N5O — CID 91374090

IUPAC6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESCn1cc(-c2ccc3c(Nc4cccc(OC(F)(F)C(F)F)c4)nccn23)cn1
InChIInChI=1S/C19H15F4N5O/c1-27-11-12(10-25-27)15-5-6-16-17(24-7-8-28(15)16)26-13-3-2-4-14(9-13)29-19(22,23)18(20)21/h2-11,18H,1H3,(H,24,26)
InChIKeyGBNCRKKBZFEGJY-UHFFFAOYSA-N
MW405.36 g/mol
LogP4.72
Rot. Bonds6

About 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine

6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine (PubChem CID 91374090) has the molecular formula C19H15F4N5O and a molecular weight of 405.36 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine
PubChem CID91374090
Molecular FormulaC19H15F4N5O
Molecular Weight405.36 g/mol
Exact Mass405.12
IUPAC Name6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESCn1cc(-c2ccc3c(Nc4cccc(OC(F)(F)C(F)F)c4)nccn23)cn1
InChIInChI=1S/C19H15F4N5O/c1-27-11-12(10-25-27)15-5-6-16-17(24-7-8-28(15)16)26-13-3-2-4-14(9-13)29-19(22,23)18(20)21/h2-11,18H,1H3,(H,24,26)
InChIKeyGBNCRKKBZFEGJY-UHFFFAOYSA-N
XLogP4.72
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine (CID 91374090) is 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine is Cn1cc(-c2ccc3c(Nc4cccc(OC(F)(F)C(F)F)c4)nccn23)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine?
The InChIKey is GBNCRKKBZFEGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O/c1-27-11-12(10-25-27)15-5-6-16-17(24-7-8-28(15)16)26-13-3-2-4-14(9-13)29-19(22,23)18(20)21/h2-11,18H,1H3,(H,24,26).
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine?
6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine has a molecular weight of 405.36 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine is sourced from PubChem (CID 91374090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).