1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid

C9H10N4O3S — CID 63751459

IUPAC1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid
SMILESCc1nnc(Sc2c(C(=O)O)c(C)nn2C)o1
InChIInChI=1S/C9H10N4O3S/c1-4-6(8(14)15)7(13(3)12-4)17-9-11-10-5(2)16-9/h1-3H3,(H,14,15)
InChIKeyHRVIEYBXUMSRLO-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.27
Rot. Bonds3

About 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid

1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid (PubChem CID 63751459) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid
PubChem CID63751459
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid
SMILESCc1nnc(Sc2c(C(=O)O)c(C)nn2C)o1
InChIInChI=1S/C9H10N4O3S/c1-4-6(8(14)15)7(13(3)12-4)17-9-11-10-5(2)16-9/h1-3H3,(H,14,15)
InChIKeyHRVIEYBXUMSRLO-UHFFFAOYSA-N
XLogP1.27
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-5-methyl-3-methylthio-1H-pyrazole-4-carboxylic acid
CID 139068903
1,3-Dimethyl-5-methylsulfanylpyrazole-4-carboxylic acid
CID 23361830
3-[[5-(1-Ethyl-3,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 23006881
2-[[5-(1,3,5-Trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 29065959
5-(2-Methoxyethylsulfanyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 63750789
5-Ethylsulfanyl-1,3-dimethylpyrazole-4-carboxylic acid
CID 63750946
5-Tert-butylsulfanyl-1,3-dimethylpyrazole-4-carboxylic acid
CID 63750947
5-Butylsulfanyl-1,3-dimethylpyrazole-4-carboxylic acid
CID 63750949
5-(2-Hydroxyethylsulfanyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 63750950
1,3-Dimethyl-5-propylsulfanylpyrazole-4-carboxylic acid
CID 63751117
1,3-Dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid
CID 63751120
1,3-Dimethyl-5-propan-2-ylsulfanylpyrazole-4-carboxylic acid
CID 63751121

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid (CID 63751459) is 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid is Cc1nnc(Sc2c(C(=O)O)c(C)nn2C)o1.
What is the InChIKey of 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid?
The InChIKey is HRVIEYBXUMSRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c1-4-6(8(14)15)7(13(3)12-4)17-9-11-10-5(2)16-9/h1-3H3,(H,14,15).
What are the key properties of 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid?
1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid has a molecular weight of 254.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 63751459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).