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

C10H13N5O3 — CID 63757598

IUPAC1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid
SMILESCc1noc(CNc2c(C(=O)O)c(C)nn2C)n1
InChIInChI=1S/C10H13N5O3/c1-5-8(10(16)17)9(15(3)13-5)11-4-7-12-6(2)14-18-7/h11H,4H2,1-3H3,(H,16,17)
InChIKeyDVGNNQFYEWDNPS-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.73
Rot. Bonds4

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

1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid (PubChem CID 63757598) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid
PubChem CID63757598
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid
SMILESCc1noc(CNc2c(C(=O)O)c(C)nn2C)n1
InChIInChI=1S/C10H13N5O3/c1-5-8(10(16)17)9(15(3)13-5)11-4-7-12-6(2)14-18-7/h11H,4H2,1-3H3,(H,16,17)
InChIKeyDVGNNQFYEWDNPS-UHFFFAOYSA-N
XLogP0.73
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.73
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid (CID 63757598) is 1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid is Cc1noc(CNc2c(C(=O)O)c(C)nn2C)n1.
What is the InChIKey of 1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid?
The InChIKey is DVGNNQFYEWDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-5-8(10(16)17)9(15(3)13-5)11-4-7-12-6(2)14-18-7/h11H,4H2,1-3H3,(H,16,17).
What are the key properties of 1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid?
1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid has a molecular weight of 251.25 g/mol, XLogP of 0.73, 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 63757598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).