3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C11H11N7O2 — CID 56883087

IUPAC3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(NCc2noc(C(N)=O)n2)n2nccc2n1
InChIInChI=1S/C11H11N7O2/c1-6-4-9(18-8(15-6)2-3-14-18)13-5-7-16-11(10(12)19)20-17-7/h2-4,13H,5H2,1H3,(H2,12,19)
InChIKeyIXEUNQIHLNZRFI-UHFFFAOYSA-N
MW273.26 g/mol
LogP0.13
Rot. Bonds4

About 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 56883087) has the molecular formula C11H11N7O2 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID56883087
Molecular FormulaC11H11N7O2
Molecular Weight273.26 g/mol
Exact Mass273.10
IUPAC Name3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(NCc2noc(C(N)=O)n2)n2nccc2n1
InChIInChI=1S/C11H11N7O2/c1-6-4-9(18-8(15-6)2-3-14-18)13-5-7-16-11(10(12)19)20-17-7/h2-4,13H,5H2,1H3,(H2,12,19)
InChIKeyIXEUNQIHLNZRFI-UHFFFAOYSA-N
XLogP0.13
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

[4-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 57303802
3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46997983
4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
CID 56888706
5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888871
3-[(2,3,3-trimethylbutanoylamino)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 70969869
5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
5-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909765
5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56907735
3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 97110651
3-[[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 125446533
3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91765392

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 56883087) is 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1cc(NCc2noc(C(N)=O)n2)n2nccc2n1.
What is the InChIKey of 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is IXEUNQIHLNZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2/c1-6-4-9(18-8(15-6)2-3-14-18)13-5-7-16-11(10(12)19)20-17-7/h2-4,13H,5H2,1H3,(H2,12,19).
What are the key properties of 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 273.26 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 56883087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).