1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid

C9H11N5O3 — CID 106409581

IUPAC1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NCc2ncon2)c1C(=O)O
InChIInChI=1S/C9H11N5O3/c1-5-7(9(15)16)8(14(2)12-5)10-3-6-11-4-17-13-6/h4,10H,3H2,1-2H3,(H,15,16)
InChIKeyJZAZVSQEFGWTLL-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.42
Rot. Bonds4

About 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid

1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid (PubChem CID 106409581) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid
PubChem CID106409581
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NCc2ncon2)c1C(=O)O
InChIInChI=1S/C9H11N5O3/c1-5-7(9(15)16)8(14(2)12-5)10-3-6-11-4-17-13-6/h4,10H,3H2,1-2H3,(H,15,16)
InChIKeyJZAZVSQEFGWTLL-UHFFFAOYSA-N
XLogP0.42
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid (CID 106409581) is 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid is Cc1nn(C)c(NCc2ncon2)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid?
The InChIKey is JZAZVSQEFGWTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-5-7(9(15)16)8(14(2)12-5)10-3-6-11-4-17-13-6/h4,10H,3H2,1-2H3,(H,15,16).
What are the key properties of 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid?
1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid is sourced from PubChem (CID 106409581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).