5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid

C8H11N3O3 — CID 110477564

IUPAC5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid
SMILESCCC(=O)Nc1n[nH]c(C)c1C(=O)O
InChIInChI=1S/C8H11N3O3/c1-3-5(12)9-7-6(8(13)14)4(2)10-11-7/h3H2,1-2H3,(H,13,14)(H2,9,10,11,12)
InChIKeyFXCDPDZQAYQFAE-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.76
Rot. Bonds3

About 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid

5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 110477564) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID110477564
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid
SMILESCCC(=O)Nc1n[nH]c(C)c1C(=O)O
InChIInChI=1S/C8H11N3O3/c1-3-5(12)9-7-6(8(13)14)4(2)10-11-7/h3H2,1-2H3,(H,13,14)(H2,9,10,11,12)
InChIKeyFXCDPDZQAYQFAE-UHFFFAOYSA-N
XLogP0.76
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid (CID 110477564) is 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid is CCC(=O)Nc1n[nH]c(C)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is FXCDPDZQAYQFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-5(12)9-7-6(8(13)14)4(2)10-11-7/h3H2,1-2H3,(H,13,14)(H2,9,10,11,12).
What are the key properties of 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid?
5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110477564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).