5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole

C15H12N6 — CID 5323624

IUPAC5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole
SMILESc1cc(-c2cc(-c3ccn[nH]3)cc(-c3ccn[nH]3)c2)[nH]n1
InChIInChI=1S/C15H12N6/c1-4-16-19-13(1)10-7-11(14-2-5-17-20-14)9-12(8-10)15-3-6-18-21-15/h1-9H,(H,16,19)(H,17,20)(H,18,21)
InChIKeyYSCPKNKUSVTOGU-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.86
Rot. Bonds3

About 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole

5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole (PubChem CID 5323624) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole
PubChem CID5323624
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole
SMILESc1cc(-c2cc(-c3ccn[nH]3)cc(-c3ccn[nH]3)c2)[nH]n1
InChIInChI=1S/C15H12N6/c1-4-16-19-13(1)10-7-11(14-2-5-17-20-14)9-12(8-10)15-3-6-18-21-15/h1-9H,(H,16,19)(H,17,20)(H,18,21)
InChIKeyYSCPKNKUSVTOGU-UHFFFAOYSA-N
XLogP2.86
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole (CID 5323624) is 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole is c1cc(-c2cc(-c3ccn[nH]3)cc(-c3ccn[nH]3)c2)[nH]n1.
What is the InChIKey of 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The InChIKey is YSCPKNKUSVTOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-4-16-19-13(1)10-7-11(14-2-5-17-20-14)9-12(8-10)15-3-6-18-21-15/h1-9H,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole has a molecular weight of 276.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 5323624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).