5-pyrazol-1-ylpyrimidine

C7H6N4 — CID 54593304

IUPAC5-pyrazol-1-ylpyrimidine
SMILESc1cnn(-c2cncnc2)c1
InChIInChI=1S/C7H6N4/c1-2-10-11(3-1)7-4-8-6-9-5-7/h1-6H
InChIKeyCVBQUPDAGIPUBD-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.66
Rot. Bonds1

About 5-pyrazol-1-ylpyrimidine

5-pyrazol-1-ylpyrimidine (PubChem CID 54593304) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name5-pyrazol-1-ylpyrimidine
PubChem CID54593304
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name5-pyrazol-1-ylpyrimidine
SMILESc1cnn(-c2cncnc2)c1
InChIInChI=1S/C7H6N4/c1-2-10-11(3-1)7-4-8-6-9-5-7/h1-6H
InChIKeyCVBQUPDAGIPUBD-UHFFFAOYSA-N
XLogP0.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-ylpyrimidine?
The IUPAC name of 5-pyrazol-1-ylpyrimidine (CID 54593304) is 5-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 5-pyrazol-1-ylpyrimidine?
The canonical SMILES for 5-pyrazol-1-ylpyrimidine is c1cnn(-c2cncnc2)c1.
What is the InChIKey of 5-pyrazol-1-ylpyrimidine?
The InChIKey is CVBQUPDAGIPUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-10-11(3-1)7-4-8-6-9-5-7/h1-6H.
What are the key properties of 5-pyrazol-1-ylpyrimidine?
5-pyrazol-1-ylpyrimidine has a molecular weight of 146.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 54593304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).