5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile

C15H11N5O — CID 11947808

IUPAC5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCc1ccnc(-n2[nH]cc(-c3ccc(C#N)nc3)c2=O)c1
InChIInChI=1S/C15H11N5O/c1-10-4-5-17-14(6-10)20-15(21)13(9-19-20)11-2-3-12(7-16)18-8-11/h2-6,8-9,19H,1H3
InChIKeyYXBXEIIRBJVTBQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.80
Rot. Bonds2

About 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile

5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 11947808) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID11947808
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCc1ccnc(-n2[nH]cc(-c3ccc(C#N)nc3)c2=O)c1
InChIInChI=1S/C15H11N5O/c1-10-4-5-17-14(6-10)20-15(21)13(9-19-20)11-2-3-12(7-16)18-8-11/h2-6,8-9,19H,1H3
InChIKeyYXBXEIIRBJVTBQ-UHFFFAOYSA-N
XLogP1.80
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile (CID 11947808) is 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile is Cc1ccnc(-n2[nH]cc(-c3ccc(C#N)nc3)c2=O)c1.
What is the InChIKey of 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is YXBXEIIRBJVTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-10-4-5-17-14(6-10)20-15(21)13(9-19-20)11-2-3-12(7-16)18-8-11/h2-6,8-9,19H,1H3.
What are the key properties of 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile?
5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 277.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 11947808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).