1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid

C10H14N2O2 — CID 82281782

IUPAC1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid
SMILESC=CCn1nc(CCC)cc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-3-5-8-7-9(10(13)14)12(11-8)6-4-2/h4,7H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyIHYJGIBXZITUTA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.72
Rot. Bonds5

About 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid

1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid (PubChem CID 82281782) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid
PubChem CID82281782
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid
SMILESC=CCn1nc(CCC)cc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-3-5-8-7-9(10(13)14)12(11-8)6-4-2/h4,7H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyIHYJGIBXZITUTA-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid?
The IUPAC name of 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid (CID 82281782) is 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid is C=CCn1nc(CCC)cc1C(=O)O.
What is the InChIKey of 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid?
The InChIKey is IHYJGIBXZITUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-5-8-7-9(10(13)14)12(11-8)6-4-2/h4,7H,2-3,5-6H2,1H3,(H,13,14).
What are the key properties of 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid?
1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82281782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).