(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene

C8H13N5 — CID 135483585

IUPAC(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene
SMILESCc1cc(/N=N/N2CCCC2)n[nH]1
InChIInChI=1S/C8H13N5/c1-7-6-8(10-9-7)11-12-13-4-2-3-5-13/h6H,2-5H2,1H3,(H,9,10)/b12-11+
InChIKeyJQSDYSRBMPXUDN-VAWYXSNFSA-N
MW179.23 g/mol
LogP1.81
Rot. Bonds2

About (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene

(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene (PubChem CID 135483585) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene
PubChem CID135483585
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene
SMILESCc1cc(/N=N/N2CCCC2)n[nH]1
InChIInChI=1S/C8H13N5/c1-7-6-8(10-9-7)11-12-13-4-2-3-5-13/h6H,2-5H2,1H3,(H,9,10)/b12-11+
InChIKeyJQSDYSRBMPXUDN-VAWYXSNFSA-N
XLogP1.81
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene (CID 135483585) is (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene is Cc1cc(/N=N/N2CCCC2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene?
The InChIKey is JQSDYSRBMPXUDN-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H13N5/c1-7-6-8(10-9-7)11-12-13-4-2-3-5-13/h6H,2-5H2,1H3,(H,9,10)/b12-11+.
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene?
(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene has a molecular weight of 179.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene is sourced from PubChem (CID 135483585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).