1-pyrimidin-2-ylpyrazol-4-amine

C7H7N5 — CID 43531925

IUPAC1-pyrimidin-2-ylpyrazol-4-amine
SMILESNc1cnn(-c2ncccn2)c1
InChIInChI=1S/C7H7N5/c8-6-4-11-12(5-6)7-9-2-1-3-10-7/h1-5H,8H2
InChIKeyYQMXNLJSYFTVOF-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.24
Rot. Bonds1

About 1-pyrimidin-2-ylpyrazol-4-amine

1-pyrimidin-2-ylpyrazol-4-amine (PubChem CID 43531925) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-pyrimidin-2-ylpyrazol-4-amine
PubChem CID43531925
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name1-pyrimidin-2-ylpyrazol-4-amine
SMILESNc1cnn(-c2ncccn2)c1
InChIInChI=1S/C7H7N5/c8-6-4-11-12(5-6)7-9-2-1-3-10-7/h1-5H,8H2
InChIKeyYQMXNLJSYFTVOF-UHFFFAOYSA-N
XLogP0.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyrimidin-2-ylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpyrazol-4-amine?
The IUPAC name of 1-pyrimidin-2-ylpyrazol-4-amine (CID 43531925) is 1-pyrimidin-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-pyrimidin-2-ylpyrazol-4-amine?
The canonical SMILES for 1-pyrimidin-2-ylpyrazol-4-amine is Nc1cnn(-c2ncccn2)c1.
What is the InChIKey of 1-pyrimidin-2-ylpyrazol-4-amine?
The InChIKey is YQMXNLJSYFTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-6-4-11-12(5-6)7-9-2-1-3-10-7/h1-5H,8H2.
What are the key properties of 1-pyrimidin-2-ylpyrazol-4-amine?
1-pyrimidin-2-ylpyrazol-4-amine has a molecular weight of 161.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpyrazol-4-amine is sourced from PubChem (CID 43531925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).