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

C15H12N6 — CID 12645020

IUPAC1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole
SMILESc1cnn(-c2cc(-n3cccn3)cc(-n3cccn3)c2)c1
InChIInChI=1S/C15H12N6/c1-4-16-19(7-1)13-10-14(20-8-2-5-17-20)12-15(11-13)21-9-3-6-18-21/h1-12H
InChIKeyARUGCBWGULJIQQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.24
Rot. Bonds3

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

1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole (PubChem CID 12645020) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole
PubChem CID12645020
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole
SMILESc1cnn(-c2cc(-n3cccn3)cc(-n3cccn3)c2)c1
InChIInChI=1S/C15H12N6/c1-4-16-19(7-1)13-10-14(20-8-2-5-17-20)12-15(11-13)21-9-3-6-18-21/h1-12H
InChIKeyARUGCBWGULJIQQ-UHFFFAOYSA-N
XLogP2.24
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-Pyrazol-1-yl)aniline
CID 594274
1-Phenyl-3-propyl-pyrazole
CID 57320331
1-Phenylpyrazole
CID 70769
3-methyl-1-phenyl-1H-pyrazole
CID 70783
1-(4-fluorophenyl)-1H-pyrazole
CID 19937184
3-(1H-pyrazol-1-yl)aniline
CID 21669713
1-Phenyl-5-propyl-pyrazole
CID 14003887
4-iodo-1-phenyl-1H-pyrazole
CID 14972076
1-(3-Fluorophenyl)-1H-pyrazole
CID 37818511
5-Methyl-1-phenyl-1H-pyrazole
CID 138845
5-fluoro-1-phenyl-1H-pyrazole
CID 112756756
3-iodo-1-phenyl-1H-pyrazole
CID 14972074

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole?
The IUPAC name of 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole (CID 12645020) is 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole.
What is the SMILES notation for 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole?
The canonical SMILES for 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole is c1cnn(-c2cc(-n3cccn3)cc(-n3cccn3)c2)c1.
What is the InChIKey of 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole?
The InChIKey is ARUGCBWGULJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-4-16-19(7-1)13-10-14(20-8-2-5-17-20)12-15(11-13)21-9-3-6-18-21/h1-12H.
What are the key properties of 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole?
1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole has a molecular weight of 276.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-di(pyrazol-1-yl)phenyl]pyrazole is sourced from PubChem (CID 12645020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).