2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine

C16H16FN5 — CID 59646955

IUPAC2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine
SMILESCCCc1nccnc1Cc1ccnn1-c1ncccc1F
InChIInChI=1S/C16H16FN5/c1-2-4-14-15(19-10-9-18-14)11-12-6-8-21-22(12)16-13(17)5-3-7-20-16/h3,5-10H,2,4,11H2,1H3
InChIKeyUPFDASPRLUGARJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.74
Rot. Bonds5

About 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine

2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine (PubChem CID 59646955) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine.

Molecular Properties

Compound Name2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine
PubChem CID59646955
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine
SMILESCCCc1nccnc1Cc1ccnn1-c1ncccc1F
InChIInChI=1S/C16H16FN5/c1-2-4-14-15(19-10-9-18-14)11-12-6-8-21-22(12)16-13(17)5-3-7-20-16/h3,5-10H,2,4,11H2,1H3
InChIKeyUPFDASPRLUGARJ-UHFFFAOYSA-N
XLogP2.74
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine?
The IUPAC name of 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine (CID 59646955) is 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine.
What is the SMILES notation for 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine?
The canonical SMILES for 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine is CCCc1nccnc1Cc1ccnn1-c1ncccc1F.
What is the InChIKey of 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine?
The InChIKey is UPFDASPRLUGARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-2-4-14-15(19-10-9-18-14)11-12-6-8-21-22(12)16-13(17)5-3-7-20-16/h3,5-10H,2,4,11H2,1H3.
What are the key properties of 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine?
2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine has a molecular weight of 297.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-3-propylpyrazine is sourced from PubChem (CID 59646955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).