5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile

C10H9N5 — CID 119031860

IUPAC5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile
SMILESCc1c(C#N)nn(-c2cccnc2)c1N
InChIInChI=1S/C10H9N5/c1-7-9(5-11)14-15(10(7)12)8-3-2-4-13-6-8/h2-4,6H,12H2,1H3
InChIKeyOAEWBOSXVQAOGM-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.03
Rot. Bonds1

About 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile

5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile (PubChem CID 119031860) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile
PubChem CID119031860
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile
SMILESCc1c(C#N)nn(-c2cccnc2)c1N
InChIInChI=1S/C10H9N5/c1-7-9(5-11)14-15(10(7)12)8-3-2-4-13-6-8/h2-4,6H,12H2,1H3
InChIKeyOAEWBOSXVQAOGM-UHFFFAOYSA-N
XLogP1.03
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile?
The IUPAC name of 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile (CID 119031860) is 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile?
The canonical SMILES for 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile is Cc1c(C#N)nn(-c2cccnc2)c1N.
What is the InChIKey of 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile?
The InChIKey is OAEWBOSXVQAOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-7-9(5-11)14-15(10(7)12)8-3-2-4-13-6-8/h2-4,6H,12H2,1H3.
What are the key properties of 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile?
5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-pyridin-3-ylpyrazole-3-carbonitrile is sourced from PubChem (CID 119031860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).