1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid

C11H14N4O3 — CID 43565443

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCCc1noc(Cn2nc(C)c(C(=O)O)c2C)n1
InChIInChI=1S/C11H14N4O3/c1-4-8-12-9(18-14-8)5-15-7(3)10(11(16)17)6(2)13-15/h4-5H2,1-3H3,(H,16,17)
InChIKeyCAKHLBKMQXHRDB-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.19
Rot. Bonds4

About 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 43565443) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID43565443
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCCc1noc(Cn2nc(C)c(C(=O)O)c2C)n1
InChIInChI=1S/C11H14N4O3/c1-4-8-12-9(18-14-8)5-15-7(3)10(11(16)17)6(2)13-15/h4-5H2,1-3H3,(H,16,17)
InChIKeyCAKHLBKMQXHRDB-UHFFFAOYSA-N
XLogP1.19
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 55038851
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid
CID 62055959
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
5-(2-aminoethyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 103119334
3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 43565537
methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate
CID 75386587
3,5-dimethyl-1-(2-methylidenebutyl)pyrazole-4-carboxylic acid
CID 66045019
1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 43807968
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 75420297
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647816
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565465
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984320

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid (CID 43565443) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid is CCc1noc(Cn2nc(C)c(C(=O)O)c2C)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is CAKHLBKMQXHRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-4-8-12-9(18-14-8)5-15-7(3)10(11(16)17)6(2)13-15/h4-5H2,1-3H3,(H,16,17).
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43565443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).