1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine

C9H8FN5 — CID 129101749

IUPAC1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine
SMILESC/N=C/c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C9H8FN5/c1-11-3-8-4-13-9(5-12-8)15-6-7(10)2-14-15/h2-6H,1H3/b11-3+
InChIKeyOTHVFWFDZOGJHW-QDEBKDIKSA-N
MW205.20 g/mol
LogP0.85
Rot. Bonds2

About 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine

1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine (PubChem CID 129101749) has the molecular formula C9H8FN5 and a molecular weight of 205.20 g/mol. Its IUPAC name is 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine
PubChem CID129101749
Molecular FormulaC9H8FN5
Molecular Weight205.20 g/mol
Exact Mass205.08
IUPAC Name1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine
SMILESC/N=C/c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C9H8FN5/c1-11-3-8-4-13-9(5-12-8)15-6-7(10)2-14-15/h2-6H,1H3/b11-3+
InChIKeyOTHVFWFDZOGJHW-QDEBKDIKSA-N
XLogP0.85
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine?
The IUPAC name of 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine (CID 129101749) is 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine?
The canonical SMILES for 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine is C/N=C/c1cnc(-n2cc(F)cn2)cn1.
What is the InChIKey of 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine?
The InChIKey is OTHVFWFDZOGJHW-QDEBKDIKSA-N. The full InChI is InChI=1S/C9H8FN5/c1-11-3-8-4-13-9(5-12-8)15-6-7(10)2-14-15/h2-6H,1H3/b11-3+.
What are the key properties of 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine?
1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine has a molecular weight of 205.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine is sourced from PubChem (CID 129101749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).