5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole

C12H10N4 — CID 5323623

IUPAC5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole
SMILESc1cc(-c2ccc(-c3ccn[nH]3)cc2)[nH]n1
InChIInChI=1S/C12H10N4/c1-2-10(12-6-8-14-16-12)4-3-9(1)11-5-7-13-15-11/h1-8H,(H,13,15)(H,14,16)
InChIKeyLERQFBBYWNIQIJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.47
Rot. Bonds2

About 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole

5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole (PubChem CID 5323623) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole
PubChem CID5323623
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole
SMILESc1cc(-c2ccc(-c3ccn[nH]3)cc2)[nH]n1
InChIInChI=1S/C12H10N4/c1-2-10(12-6-8-14-16-12)4-3-9(1)11-5-7-13-15-11/h1-8H,(H,13,15)(H,14,16)
InChIKeyLERQFBBYWNIQIJ-UHFFFAOYSA-N
XLogP2.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole (CID 5323623) is 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole is c1cc(-c2ccc(-c3ccn[nH]3)cc2)[nH]n1.
What is the InChIKey of 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The InChIKey is LERQFBBYWNIQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-2-10(12-6-8-14-16-12)4-3-9(1)11-5-7-13-15-11/h1-8H,(H,13,15)(H,14,16).
What are the key properties of 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole has a molecular weight of 210.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 5323623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).