4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile

C13H10N6O — CID 136770964

IUPAC4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
SMILESCc1cnc(-c2noc(-c3cn[nH]c3C#N)n2)c(C)c1
InChIInChI=1S/C13H10N6O/c1-7-3-8(2)11(15-5-7)12-17-13(20-19-12)9-6-16-18-10(9)4-14/h3,5-6H,1-2H3,(H,16,18)
InChIKeyYHSVHFCDULICTK-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.01
Rot. Bonds2

About 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile

4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile (PubChem CID 136770964) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
PubChem CID136770964
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
SMILESCc1cnc(-c2noc(-c3cn[nH]c3C#N)n2)c(C)c1
InChIInChI=1S/C13H10N6O/c1-7-3-8(2)11(15-5-7)12-17-13(20-19-12)9-6-16-18-10(9)4-14/h3,5-6H,1-2H3,(H,16,18)
InChIKeyYHSVHFCDULICTK-UHFFFAOYSA-N
XLogP2.01
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile (CID 136770964) is 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile is Cc1cnc(-c2noc(-c3cn[nH]c3C#N)n2)c(C)c1.
What is the InChIKey of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The InChIKey is YHSVHFCDULICTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c1-7-3-8(2)11(15-5-7)12-17-13(20-19-12)9-6-16-18-10(9)4-14/h3,5-6H,1-2H3,(H,16,18).
What are the key properties of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 136770964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).