5-phenyl-1H-pyrazole

C9H8N2 — CID 17155

IUPAC5-phenyl-1H-pyrazole
SMILESc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
InChIKeyOEDUIFSDODUDRK-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.08
Rot. Bonds1

About 5-phenyl-1H-pyrazole

5-phenyl-1H-pyrazole (PubChem CID 17155) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 5-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-phenyl-1H-pyrazole
PubChem CID17155
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name5-phenyl-1H-pyrazole
SMILESc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
InChIKeyOEDUIFSDODUDRK-UHFFFAOYSA-N
XLogP2.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrazole?
The IUPAC name of 5-phenyl-1H-pyrazole (CID 17155) is 5-phenyl-1H-pyrazole.
What is the SMILES notation for 5-phenyl-1H-pyrazole?
The canonical SMILES for 5-phenyl-1H-pyrazole is c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-phenyl-1H-pyrazole?
The InChIKey is OEDUIFSDODUDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11).
What are the key properties of 5-phenyl-1H-pyrazole?
5-phenyl-1H-pyrazole has a molecular weight of 144.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrazole is sourced from PubChem (CID 17155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).