5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid

C9H16N4O2 — CID 67823359

IUPAC5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid
SMILESCCCCCN(N)c1[nH]ncc1C(=O)O
InChIInChI=1S/C9H16N4O2/c1-2-3-4-5-13(10)8-7(9(14)15)6-11-12-8/h6H,2-5,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyQZHKAWWVLNWLHQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.98
Rot. Bonds6

About 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid

5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid (PubChem CID 67823359) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid
PubChem CID67823359
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid
SMILESCCCCCN(N)c1[nH]ncc1C(=O)O
InChIInChI=1S/C9H16N4O2/c1-2-3-4-5-13(10)8-7(9(14)15)6-11-12-8/h6H,2-5,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyQZHKAWWVLNWLHQ-UHFFFAOYSA-N
XLogP0.98
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid (CID 67823359) is 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid is CCCCCN(N)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid?
The InChIKey is QZHKAWWVLNWLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-3-4-5-13(10)8-7(9(14)15)6-11-12-8/h6H,2-5,10H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid?
5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 67823359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).