5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile

C10H9N5 — CID 115490190

IUPAC5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cn[nH]c2)cn1
InChIInChI=1S/C10H9N5/c11-3-9-1-2-10(7-13-9)12-4-8-5-14-15-6-8/h1-2,5-7,12H,4H2,(H,14,15)
InChIKeyLJYJZVMFGIONJF-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.29
Rot. Bonds3

About 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile

5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 115490190) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
PubChem CID115490190
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cn[nH]c2)cn1
InChIInChI=1S/C10H9N5/c11-3-9-1-2-10(7-13-9)12-4-8-5-14-15-6-8/h1-2,5-7,12H,4H2,(H,14,15)
InChIKeyLJYJZVMFGIONJF-UHFFFAOYSA-N
XLogP1.29
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile (CID 115490190) is 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile is N#Cc1ccc(NCc2cn[nH]c2)cn1.
What is the InChIKey of 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is LJYJZVMFGIONJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-3-9-1-2-10(7-13-9)12-4-8-5-14-15-6-8/h1-2,5-7,12H,4H2,(H,14,15).
What are the key properties of 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile?
5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115490190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).