5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine

C20H14N8 — CID 118529655

IUPAC5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine
SMILESc1cc(-c2cc(-c3cncnc3)n[nH]2)cc(-c2cc(-c3cncnc3)n[nH]2)c1
InChIInChI=1S/C20H14N8/c1-2-13(17-5-19(27-25-17)15-7-21-11-22-8-15)4-14(3-1)18-6-20(28-26-18)16-9-23-12-24-10-16/h1-12H,(H,25,27)(H,26,28)
InChIKeyUUDLMQJULFDWKP-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.38
Rot. Bonds4

About 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine

5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine (PubChem CID 118529655) has the molecular formula C20H14N8 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine
PubChem CID118529655
Molecular FormulaC20H14N8
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine
SMILESc1cc(-c2cc(-c3cncnc3)n[nH]2)cc(-c2cc(-c3cncnc3)n[nH]2)c1
InChIInChI=1S/C20H14N8/c1-2-13(17-5-19(27-25-17)15-7-21-11-22-8-15)4-14(3-1)18-6-20(28-26-18)16-9-23-12-24-10-16/h1-12H,(H,25,27)(H,26,28)
InChIKeyUUDLMQJULFDWKP-UHFFFAOYSA-N
XLogP3.38
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
CID 144664737
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
5-[5-(2,3,6-trifluorophenyl)-1H-pyrazol-3-yl]pyrimidine
CID 141253732
3,5-bis(3-bromophenyl)-1H-pyrazole
CID 19587667
2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine
CID 118529657
3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline
CID 118529608
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine
CID 141253718
5-(4-methylsulfonylphenyl)-3-[3-[5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529599
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
CID 118577360
5-[6-[3-[3-phenanthren-3-yl-5-[3-(6-pyrimidin-5-yl-2-pyridinyl)phenyl]phenyl]phenyl]-2-pyridinyl]pyrimidine
CID 164785747
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine?
The IUPAC name of 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine (CID 118529655) is 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine?
The canonical SMILES for 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine is c1cc(-c2cc(-c3cncnc3)n[nH]2)cc(-c2cc(-c3cncnc3)n[nH]2)c1.
What is the InChIKey of 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine?
The InChIKey is UUDLMQJULFDWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8/c1-2-13(17-5-19(27-25-17)15-7-21-11-22-8-15)4-14(3-1)18-6-20(28-26-18)16-9-23-12-24-10-16/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine?
5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine has a molecular weight of 366.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 118529655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).