5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine

C9H11N4+ — CID 91870952

IUPAC5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine
SMILESNC1=[NH+]N=C(c2ccc(N)cc2)C1
InChIInChI=1S/C9H10N4/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-4H,5,10H2,(H2,11,13)/p+1
InChIKeyDFKXMDBNDDPAKR-UHFFFAOYSA-O
MW175.22 g/mol
LogP-1.19
Rot. Bonds1

About 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine

5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine (PubChem CID 91870952) has the molecular formula C9H11N4+ and a molecular weight of 175.22 g/mol. Its IUPAC name is 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine
PubChem CID91870952
Molecular FormulaC9H11N4+
Molecular Weight175.22 g/mol
Exact Mass175.10
IUPAC Name5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine
SMILESNC1=[NH+]N=C(c2ccc(N)cc2)C1
InChIInChI=1S/C9H10N4/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-4H,5,10H2,(H2,11,13)/p+1
InChIKeyDFKXMDBNDDPAKR-UHFFFAOYSA-O
XLogP-1.19
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine?
The IUPAC name of 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine (CID 91870952) is 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine.
What is the SMILES notation for 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine?
The canonical SMILES for 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine is NC1=[NH+]N=C(c2ccc(N)cc2)C1.
What is the InChIKey of 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine?
The InChIKey is DFKXMDBNDDPAKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10N4/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-4H,5,10H2,(H2,11,13)/p+1.
What are the key properties of 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine?
5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine has a molecular weight of 175.22 g/mol, XLogP of -1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-4H-pyrazol-2-ium-3-amine is sourced from PubChem (CID 91870952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).