5-pyrimidin-2-yl-1H-pyrazol-4-amine

C7H7N5 — CID 67368958

IUPAC5-pyrimidin-2-yl-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1ncccn1
InChIInChI=1S/C7H7N5/c8-5-4-11-12-6(5)7-9-2-1-3-10-7/h1-4H,8H2,(H,11,12)
InChIKeyYLLPAAYZOKXPDB-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.45
Rot. Bonds1

About 5-pyrimidin-2-yl-1H-pyrazol-4-amine

5-pyrimidin-2-yl-1H-pyrazol-4-amine (PubChem CID 67368958) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 5-pyrimidin-2-yl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-pyrimidin-2-yl-1H-pyrazol-4-amine
PubChem CID67368958
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name5-pyrimidin-2-yl-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1ncccn1
InChIInChI=1S/C7H7N5/c8-5-4-11-12-6(5)7-9-2-1-3-10-7/h1-4H,8H2,(H,11,12)
InChIKeyYLLPAAYZOKXPDB-UHFFFAOYSA-N
XLogP0.45
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-2-yl-1H-pyrazol-4-amine?
The IUPAC name of 5-pyrimidin-2-yl-1H-pyrazol-4-amine (CID 67368958) is 5-pyrimidin-2-yl-1H-pyrazol-4-amine.
What is the SMILES notation for 5-pyrimidin-2-yl-1H-pyrazol-4-amine?
The canonical SMILES for 5-pyrimidin-2-yl-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1ncccn1.
What is the InChIKey of 5-pyrimidin-2-yl-1H-pyrazol-4-amine?
The InChIKey is YLLPAAYZOKXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-5-4-11-12-6(5)7-9-2-1-3-10-7/h1-4H,8H2,(H,11,12).
What are the key properties of 5-pyrimidin-2-yl-1H-pyrazol-4-amine?
5-pyrimidin-2-yl-1H-pyrazol-4-amine has a molecular weight of 161.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-2-yl-1H-pyrazol-4-amine is sourced from PubChem (CID 67368958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).