5-amino-1-butylpyrazole-4-carboxylic acid

C8H13N3O2 — CID 79007098

IUPAC5-amino-1-butylpyrazole-4-carboxylic acid
SMILESCCCCn1ncc(C(=O)O)c1N
InChIInChI=1S/C8H13N3O2/c1-2-3-4-11-7(9)6(5-10-11)8(12)13/h5H,2-4,9H2,1H3,(H,12,13)
InChIKeyYEMOFSDCKGLAKO-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.96
Rot. Bonds4

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

5-amino-1-butylpyrazole-4-carboxylic acid (PubChem CID 79007098) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-1-butylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-butylpyrazole-4-carboxylic acid
PubChem CID79007098
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-amino-1-butylpyrazole-4-carboxylic acid
SMILESCCCCn1ncc(C(=O)O)c1N
InChIInChI=1S/C8H13N3O2/c1-2-3-4-11-7(9)6(5-10-11)8(12)13/h5H,2-4,9H2,1H3,(H,12,13)
InChIKeyYEMOFSDCKGLAKO-UHFFFAOYSA-N
XLogP0.96
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-butylpyrazole-4-carboxylic acid (CID 79007098) is 5-amino-1-butylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-butylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-butylpyrazole-4-carboxylic acid is CCCCn1ncc(C(=O)O)c1N.
What is the InChIKey of 5-amino-1-butylpyrazole-4-carboxylic acid?
The InChIKey is YEMOFSDCKGLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-4-11-7(9)6(5-10-11)8(12)13/h5H,2-4,9H2,1H3,(H,12,13).
What are the key properties of 5-amino-1-butylpyrazole-4-carboxylic acid?
5-amino-1-butylpyrazole-4-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butylpyrazole-4-carboxylic acid is sourced from PubChem (CID 79007098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).