3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile

C12H13N5O — CID 114273674

IUPAC3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile
SMILESCCCOc1cnn(-c2ccc(N)c(C#N)n2)c1
InChIInChI=1S/C12H13N5O/c1-2-5-18-9-7-15-17(8-9)12-4-3-10(14)11(6-13)16-12/h3-4,7-8H,2,5,14H2,1H3
InChIKeyQGCVNRHCEGQCFV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile

3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile (PubChem CID 114273674) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile
PubChem CID114273674
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile
SMILESCCCOc1cnn(-c2ccc(N)c(C#N)n2)c1
InChIInChI=1S/C12H13N5O/c1-2-5-18-9-7-15-17(8-9)12-4-3-10(14)11(6-13)16-12/h3-4,7-8H,2,5,14H2,1H3
InChIKeyQGCVNRHCEGQCFV-UHFFFAOYSA-N
XLogP1.51
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile (CID 114273674) is 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile is CCCOc1cnn(-c2ccc(N)c(C#N)n2)c1.
What is the InChIKey of 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is QGCVNRHCEGQCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-5-18-9-7-15-17(8-9)12-4-3-10(14)11(6-13)16-12/h3-4,7-8H,2,5,14H2,1H3.
What are the key properties of 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile?
3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-propoxypyrazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 114273674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).