methanidyl(1H-pyrazol-5-yl)azanium

C4H7N3 — CID 21055169

IUPACmethanidyl(1H-pyrazol-5-yl)azanium
SMILES[CH2-][NH2+]c1ccn[nH]1
InChIInChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1,5H2,(H,6,7)
InChIKeyNRZVWBOUIFDCCJ-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.60
Rot. Bonds1

About methanidyl(1H-pyrazol-5-yl)azanium

methanidyl(1H-pyrazol-5-yl)azanium (PubChem CID 21055169) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is methanidyl(1H-pyrazol-5-yl)azanium.

Molecular Properties

Compound Namemethanidyl(1H-pyrazol-5-yl)azanium
PubChem CID21055169
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Namemethanidyl(1H-pyrazol-5-yl)azanium
SMILES[CH2-][NH2+]c1ccn[nH]1
InChIInChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1,5H2,(H,6,7)
InChIKeyNRZVWBOUIFDCCJ-UHFFFAOYSA-N
XLogP-0.60
TPSA45.29 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl(1H-pyrazol-5-yl)azanium?
The IUPAC name of methanidyl(1H-pyrazol-5-yl)azanium (CID 21055169) is methanidyl(1H-pyrazol-5-yl)azanium.
What is the SMILES notation for methanidyl(1H-pyrazol-5-yl)azanium?
The canonical SMILES for methanidyl(1H-pyrazol-5-yl)azanium is [CH2-][NH2+]c1ccn[nH]1.
What is the InChIKey of methanidyl(1H-pyrazol-5-yl)azanium?
The InChIKey is NRZVWBOUIFDCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1,5H2,(H,6,7).
What are the key properties of methanidyl(1H-pyrazol-5-yl)azanium?
methanidyl(1H-pyrazol-5-yl)azanium has a molecular weight of 97.12 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(1H-pyrazol-5-yl)azanium is sourced from PubChem (CID 21055169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).