1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine

C12H11N5 — CID 13001644

IUPAC1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ncc[nH]1
InChIInChI=1S/C12H11N5/c13-11-8-10(9-4-2-1-3-5-9)16-17(11)12-14-6-7-15-12/h1-8H,13H2,(H,14,15)
InChIKeyWKPYQNXDCNNXOK-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.84
Rot. Bonds2

About 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine

1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine (PubChem CID 13001644) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine
PubChem CID13001644
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ncc[nH]1
InChIInChI=1S/C12H11N5/c13-11-8-10(9-4-2-1-3-5-9)16-17(11)12-14-6-7-15-12/h1-8H,13H2,(H,14,15)
InChIKeyWKPYQNXDCNNXOK-UHFFFAOYSA-N
XLogP1.84
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine (CID 13001644) is 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1-c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine?
The InChIKey is WKPYQNXDCNNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-11-8-10(9-4-2-1-3-5-9)16-17(11)12-14-6-7-15-12/h1-8H,13H2,(H,14,15).
What are the key properties of 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine?
1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine has a molecular weight of 225.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine is sourced from PubChem (CID 13001644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).