1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid

C8H11N3O3 — CID 110477561

IUPAC1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
SMILESCCC(=O)Nc1c(C(=O)O)cnn1C
InChIInChI=1S/C8H11N3O3/c1-3-6(12)10-7-5(8(13)14)4-9-11(7)2/h4H,3H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyOANPTPNIZAGYAY-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.47
Rot. Bonds3

About 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid

1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid (PubChem CID 110477561) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
PubChem CID110477561
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
SMILESCCC(=O)Nc1c(C(=O)O)cnn1C
InChIInChI=1S/C8H11N3O3/c1-3-6(12)10-7-5(8(13)14)4-9-11(7)2/h4H,3H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyOANPTPNIZAGYAY-UHFFFAOYSA-N
XLogP0.47
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid (CID 110477561) is 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid is CCC(=O)Nc1c(C(=O)O)cnn1C.
What is the InChIKey of 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid?
The InChIKey is OANPTPNIZAGYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-6(12)10-7-5(8(13)14)4-9-11(7)2/h4H,3H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid?
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid is sourced from PubChem (CID 110477561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).