2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine

C10H7FN4 — CID 130436172

IUPAC2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine
SMILESCC#Cc1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C10H7FN4/c1-2-3-9-5-13-10(6-12-9)15-7-8(11)4-14-15/h4-7H,1H3
InChIKeyLCWNVGYLESRTOZ-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.17
Rot. Bonds1

About 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine

2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine (PubChem CID 130436172) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine.

Molecular Properties

Compound Name2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine
PubChem CID130436172
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine
SMILESCC#Cc1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C10H7FN4/c1-2-3-9-5-13-10(6-12-9)15-7-8(11)4-14-15/h4-7H,1H3
InChIKeyLCWNVGYLESRTOZ-UHFFFAOYSA-N
XLogP1.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine?
The IUPAC name of 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine (CID 130436172) is 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine.
What is the SMILES notation for 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine?
The canonical SMILES for 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine is CC#Cc1cnc(-n2cc(F)cn2)cn1.
What is the InChIKey of 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine?
The InChIKey is LCWNVGYLESRTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c1-2-3-9-5-13-10(6-12-9)15-7-8(11)4-14-15/h4-7H,1H3.
What are the key properties of 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine?
2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine has a molecular weight of 202.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine is sourced from PubChem (CID 130436172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).