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

C10H13N5O2 — CID 146104070

IUPACN-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2nn(C)cc2C)no1
InChIInChI=1S/C10H13N5O2/c1-6-5-15(3)13-8(6)4-11-10(16)9-12-7(2)17-14-9/h5H,4H2,1-3H3,(H,11,16)
InChIKeyAVOLQGMYNPVOMN-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.35
Rot. Bonds3

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

N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146104070) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID146104070
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2nn(C)cc2C)no1
InChIInChI=1S/C10H13N5O2/c1-6-5-15(3)13-8(6)4-11-10(16)9-12-7(2)17-14-9/h5H,4H2,1-3H3,(H,11,16)
InChIKeyAVOLQGMYNPVOMN-UHFFFAOYSA-N
XLogP0.35
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 146104070) is N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)NCc2nn(C)cc2C)no1.
What is the InChIKey of N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is AVOLQGMYNPVOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-5-15(3)13-8(6)4-11-10(16)9-12-7(2)17-14-9/h5H,4H2,1-3H3,(H,11,16).
What are the key properties of N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146104070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).