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

C9H10N4 — CID 86295046

IUPAC5-(4-aminophenyl)-4H-pyrazol-3-amine
SMILESNC1=NN=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)
InChIKeyDFKXMDBNDDPAKR-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds1

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

5-(4-aminophenyl)-4H-pyrazol-3-amine (PubChem CID 86295046) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-(4-aminophenyl)-4H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-4H-pyrazol-3-amine
PubChem CID86295046
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-(4-aminophenyl)-4H-pyrazol-3-amine
SMILESNC1=NN=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)
InChIKeyDFKXMDBNDDPAKR-UHFFFAOYSA-N
XLogP0.73
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-4H-pyrazol-3-amine?
The IUPAC name of 5-(4-aminophenyl)-4H-pyrazol-3-amine (CID 86295046) is 5-(4-aminophenyl)-4H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-aminophenyl)-4H-pyrazol-3-amine?
The canonical SMILES for 5-(4-aminophenyl)-4H-pyrazol-3-amine is NC1=NN=C(c2ccc(N)cc2)C1.
What is the InChIKey of 5-(4-aminophenyl)-4H-pyrazol-3-amine?
The InChIKey is DFKXMDBNDDPAKR-UHFFFAOYSA-N. 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).
What are the key properties of 5-(4-aminophenyl)-4H-pyrazol-3-amine?
5-(4-aminophenyl)-4H-pyrazol-3-amine has a molecular weight of 174.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-4H-pyrazol-3-amine is sourced from PubChem (CID 86295046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).