2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine

C18H13N5 — CID 162043796

IUPAC2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine
SMILESc1ccc(-c2ncc(C3=NN=C(c4cccnc4)C3)cn2)cc1
InChIInChI=1S/C18H13N5/c1-2-5-13(6-3-1)18-20-11-15(12-21-18)17-9-16(22-23-17)14-7-4-8-19-10-14/h1-8,10-12H,9H2
InChIKeyYXPZRDVBJFDUJZ-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.14
Rot. Bonds3

About 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine

2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine (PubChem CID 162043796) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine
PubChem CID162043796
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine
SMILESc1ccc(-c2ncc(C3=NN=C(c4cccnc4)C3)cn2)cc1
InChIInChI=1S/C18H13N5/c1-2-5-13(6-3-1)18-20-11-15(12-21-18)17-9-16(22-23-17)14-7-4-8-19-10-14/h1-8,10-12H,9H2
InChIKeyYXPZRDVBJFDUJZ-UHFFFAOYSA-N
XLogP3.14
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine?
The IUPAC name of 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine (CID 162043796) is 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine?
The canonical SMILES for 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine is c1ccc(-c2ncc(C3=NN=C(c4cccnc4)C3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine?
The InChIKey is YXPZRDVBJFDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-5-13(6-3-1)18-20-11-15(12-21-18)17-9-16(22-23-17)14-7-4-8-19-10-14/h1-8,10-12H,9H2.
What are the key properties of 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine?
2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine has a molecular weight of 299.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine is sourced from PubChem (CID 162043796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).