3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine

C13H11N5 — CID 79823189

IUPAC3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ccncn1
InChIInChI=1S/C13H11N5/c14-12-8-11(10-4-2-1-3-5-10)17-18(12)13-6-7-15-9-16-13/h1-9H,14H2
InChIKeyKNFQGHZGQZUBGQ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.91
Rot. Bonds2

About 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine

3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine (PubChem CID 79823189) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine
PubChem CID79823189
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ccncn1
InChIInChI=1S/C13H11N5/c14-12-8-11(10-4-2-1-3-5-10)17-18(12)13-6-7-15-9-16-13/h1-9H,14H2
InChIKeyKNFQGHZGQZUBGQ-UHFFFAOYSA-N
XLogP1.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine?
The IUPAC name of 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine (CID 79823189) is 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine.
What is the SMILES notation for 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine?
The canonical SMILES for 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1-c1ccncn1.
What is the InChIKey of 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine?
The InChIKey is KNFQGHZGQZUBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-12-8-11(10-4-2-1-3-5-10)17-18(12)13-6-7-15-9-16-13/h1-9H,14H2.
What are the key properties of 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine?
3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine has a molecular weight of 237.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine is sourced from PubChem (CID 79823189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).