5-amino-1-pentylpyrazole-4-carboxylic acid

C9H15N3O2 — CID 70195363

IUPAC5-amino-1-pentylpyrazole-4-carboxylic acid
SMILESCCCCCn1ncc(C(=O)O)c1N
InChIInChI=1S/C9H15N3O2/c1-2-3-4-5-12-8(10)7(6-11-12)9(13)14/h6H,2-5,10H2,1H3,(H,13,14)
InChIKeyQZRJKXRDAHSAOI-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.35
Rot. Bonds5

About 5-amino-1-pentylpyrazole-4-carboxylic acid

5-amino-1-pentylpyrazole-4-carboxylic acid (PubChem CID 70195363) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-1-pentylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-pentylpyrazole-4-carboxylic acid
PubChem CID70195363
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-1-pentylpyrazole-4-carboxylic acid
SMILESCCCCCn1ncc(C(=O)O)c1N
InChIInChI=1S/C9H15N3O2/c1-2-3-4-5-12-8(10)7(6-11-12)9(13)14/h6H,2-5,10H2,1H3,(H,13,14)
InChIKeyQZRJKXRDAHSAOI-UHFFFAOYSA-N
XLogP1.35
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pentylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-pentylpyrazole-4-carboxylic acid (CID 70195363) is 5-amino-1-pentylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-pentylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-pentylpyrazole-4-carboxylic acid is CCCCCn1ncc(C(=O)O)c1N.
What is the InChIKey of 5-amino-1-pentylpyrazole-4-carboxylic acid?
The InChIKey is QZRJKXRDAHSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-4-5-12-8(10)7(6-11-12)9(13)14/h6H,2-5,10H2,1H3,(H,13,14).
What are the key properties of 5-amino-1-pentylpyrazole-4-carboxylic acid?
5-amino-1-pentylpyrazole-4-carboxylic acid has a molecular weight of 197.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pentylpyrazole-4-carboxylic acid is sourced from PubChem (CID 70195363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).