6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile

C10H8FN5 — CID 118560447

IUPAC6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(Cn2ccc(N)n2)ccc1F
InChIInChI=1S/C10H8FN5/c11-8-2-1-7(14-9(8)5-12)6-16-4-3-10(13)15-16/h1-4H,6H2,(H2,13,15)
InChIKeyJGYZPZMCEASUHF-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.92
Rot. Bonds2

About 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile

6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile (PubChem CID 118560447) has the molecular formula C10H8FN5 and a molecular weight of 217.21 g/mol. Its IUPAC name is 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile
PubChem CID118560447
Molecular FormulaC10H8FN5
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(Cn2ccc(N)n2)ccc1F
InChIInChI=1S/C10H8FN5/c11-8-2-1-7(14-9(8)5-12)6-16-4-3-10(13)15-16/h1-4H,6H2,(H2,13,15)
InChIKeyJGYZPZMCEASUHF-UHFFFAOYSA-N
XLogP0.92
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile (CID 118560447) is 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile is N#Cc1nc(Cn2ccc(N)n2)ccc1F.
What is the InChIKey of 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile?
The InChIKey is JGYZPZMCEASUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5/c11-8-2-1-7(14-9(8)5-12)6-16-4-3-10(13)15-16/h1-4H,6H2,(H2,13,15).
What are the key properties of 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile?
6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile has a molecular weight of 217.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 118560447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).