3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

C10H12N6O3 — CID 123540716

IUPAC3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2nc(C)c(N=O)c2C)no1
InChIInChI=1S/C10H12N6O3/c1-5-8(14-18)6(2)16(13-5)4-7-12-10(19-15-7)9(17)11-3/h4H2,1-3H3,(H,11,17)
InChIKeyHZOLFPNWQLOADC-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.69
Rot. Bonds4

About 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 123540716) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID123540716
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2nc(C)c(N=O)c2C)no1
InChIInChI=1S/C10H12N6O3/c1-5-8(14-18)6(2)16(13-5)4-7-12-10(19-15-7)9(17)11-3/h4H2,1-3H3,(H,11,17)
InChIKeyHZOLFPNWQLOADC-UHFFFAOYSA-N
XLogP0.69
TPSA115.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 123540716) is 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(Cn2nc(C)c(N=O)c2C)no1.
What is the InChIKey of 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HZOLFPNWQLOADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-5-8(14-18)6(2)16(13-5)4-7-12-10(19-15-7)9(17)11-3/h4H2,1-3H3,(H,11,17).
What are the key properties of 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 123540716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).