1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C10H11F3N4O — CID 82711445

IUPAC1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1cc2ncc(CNOCC(F)(F)F)cn2n1
InChIInChI=1S/C10H11F3N4O/c1-7-2-9-14-3-8(5-17(9)16-7)4-15-18-6-10(11,12)13/h2-3,5,15H,4,6H2,1H3
InChIKeyFYPVSHJBSJFCOJ-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82711445) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82711445
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1cc2ncc(CNOCC(F)(F)F)cn2n1
InChIInChI=1S/C10H11F3N4O/c1-7-2-9-14-3-8(5-17(9)16-7)4-15-18-6-10(11,12)13/h2-3,5,15H,4,6H2,1H3
InChIKeyFYPVSHJBSJFCOJ-UHFFFAOYSA-N
XLogP1.62
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82711445) is 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine is Cc1cc2ncc(CNOCC(F)(F)F)cn2n1.
What is the InChIKey of 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is FYPVSHJBSJFCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-7-2-9-14-3-8(5-17(9)16-7)4-15-18-6-10(11,12)13/h2-3,5,15H,4,6H2,1H3.
What are the key properties of 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 260.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82711445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).