4-(1H-pyrazol-4-yl)pyrimidine

C7H6N4 — CID 5073229

IUPAC4-(1H-pyrazol-4-yl)pyrimidine
SMILESc1cc(-c2cn[nH]c2)ncn1
InChIInChI=1S/C7H6N4/c1-2-8-5-9-7(1)6-3-10-11-4-6/h1-5H,(H,10,11)
InChIKeyXHWTWNCQBNQUDK-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.87
Rot. Bonds1

About 4-(1H-pyrazol-4-yl)pyrimidine

4-(1H-pyrazol-4-yl)pyrimidine (PubChem CID 5073229) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)pyrimidine
PubChem CID5073229
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name4-(1H-pyrazol-4-yl)pyrimidine
SMILESc1cc(-c2cn[nH]c2)ncn1
InChIInChI=1S/C7H6N4/c1-2-8-5-9-7(1)6-3-10-11-4-6/h1-5H,(H,10,11)
InChIKeyXHWTWNCQBNQUDK-UHFFFAOYSA-N
XLogP0.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)pyrimidine?
The IUPAC name of 4-(1H-pyrazol-4-yl)pyrimidine (CID 5073229) is 4-(1H-pyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-(1H-pyrazol-4-yl)pyrimidine is c1cc(-c2cn[nH]c2)ncn1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)pyrimidine?
The InChIKey is XHWTWNCQBNQUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-8-5-9-7(1)6-3-10-11-4-6/h1-5H,(H,10,11).
What are the key properties of 4-(1H-pyrazol-4-yl)pyrimidine?
4-(1H-pyrazol-4-yl)pyrimidine has a molecular weight of 146.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)pyrimidine is sourced from PubChem (CID 5073229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).