5-N-pentyl-1H-pyrazole-4,5-diamine

C8H16N4 — CID 69440008

IUPAC5-N-pentyl-1H-pyrazole-4,5-diamine
SMILESCCCCCNc1[nH]ncc1N
InChIInChI=1S/C8H16N4/c1-2-3-4-5-10-8-7(9)6-11-12-8/h6H,2-5,9H2,1H3,(H2,10,11,12)
InChIKeyAXEYMVRLSPHXME-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.59
Rot. Bonds5

About 5-N-pentyl-1H-pyrazole-4,5-diamine

5-N-pentyl-1H-pyrazole-4,5-diamine (PubChem CID 69440008) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-N-pentyl-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-pentyl-1H-pyrazole-4,5-diamine
PubChem CID69440008
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-N-pentyl-1H-pyrazole-4,5-diamine
SMILESCCCCCNc1[nH]ncc1N
InChIInChI=1S/C8H16N4/c1-2-3-4-5-10-8-7(9)6-11-12-8/h6H,2-5,9H2,1H3,(H2,10,11,12)
InChIKeyAXEYMVRLSPHXME-UHFFFAOYSA-N
XLogP1.59
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-N-pentyl-1H-pyrazole-4,5-diamine?
The IUPAC name of 5-N-pentyl-1H-pyrazole-4,5-diamine (CID 69440008) is 5-N-pentyl-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 5-N-pentyl-1H-pyrazole-4,5-diamine?
The canonical SMILES for 5-N-pentyl-1H-pyrazole-4,5-diamine is CCCCCNc1[nH]ncc1N.
What is the InChIKey of 5-N-pentyl-1H-pyrazole-4,5-diamine?
The InChIKey is AXEYMVRLSPHXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-3-4-5-10-8-7(9)6-11-12-8/h6H,2-5,9H2,1H3,(H2,10,11,12).
What are the key properties of 5-N-pentyl-1H-pyrazole-4,5-diamine?
5-N-pentyl-1H-pyrazole-4,5-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-pentyl-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 69440008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).