2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine

C13H10N4 — CID 59252376

IUPAC2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine
SMILESc1ccc(-c2ncc(-c3ccn[nH]3)cn2)cc1
InChIInChI=1S/C13H10N4/c1-2-4-10(5-3-1)13-14-8-11(9-15-13)12-6-7-16-17-12/h1-9H,(H,16,17)
InChIKeyTVNOXNGIVSLBHD-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.53
Rot. Bonds2

About 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine

2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine (PubChem CID 59252376) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine
PubChem CID59252376
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine
SMILESc1ccc(-c2ncc(-c3ccn[nH]3)cn2)cc1
InChIInChI=1S/C13H10N4/c1-2-4-10(5-3-1)13-14-8-11(9-15-13)12-6-7-16-17-12/h1-9H,(H,16,17)
InChIKeyTVNOXNGIVSLBHD-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine 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 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine?
The IUPAC name of 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine (CID 59252376) is 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine.
What is the SMILES notation for 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine?
The canonical SMILES for 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine is c1ccc(-c2ncc(-c3ccn[nH]3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine?
The InChIKey is TVNOXNGIVSLBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-4-10(5-3-1)13-14-8-11(9-15-13)12-6-7-16-17-12/h1-9H,(H,16,17).
What are the key properties of 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine?
2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine has a molecular weight of 222.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(1H-pyrazol-5-yl)pyrimidine is sourced from PubChem (CID 59252376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).