3-naphthalen-2-yl-5-phenyl-1H-pyrazole

C19H14N2 — CID 50992102

IUPAC3-naphthalen-2-yl-5-phenyl-1H-pyrazole
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1
InChIInChI=1S/C19H14N2/c1-2-7-15(8-3-1)18-13-19(21-20-18)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,20,21)
InChIKeyOXYRULKRWFCJBM-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.90
Rot. Bonds2

About 3-naphthalen-2-yl-5-phenyl-1H-pyrazole

3-naphthalen-2-yl-5-phenyl-1H-pyrazole (PubChem CID 50992102) has the molecular formula C19H14N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-phenyl-1H-pyrazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-phenyl-1H-pyrazole
PubChem CID50992102
Molecular FormulaC19H14N2
Molecular Weight270.33 g/mol
Exact Mass270.12
IUPAC Name3-naphthalen-2-yl-5-phenyl-1H-pyrazole
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1
InChIInChI=1S/C19H14N2/c1-2-7-15(8-3-1)18-13-19(21-20-18)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,20,21)
InChIKeyOXYRULKRWFCJBM-UHFFFAOYSA-N
XLogP4.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-phenyl-1H-pyrazole?
The IUPAC name of 3-naphthalen-2-yl-5-phenyl-1H-pyrazole (CID 50992102) is 3-naphthalen-2-yl-5-phenyl-1H-pyrazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-phenyl-1H-pyrazole?
The canonical SMILES for 3-naphthalen-2-yl-5-phenyl-1H-pyrazole is c1ccc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1.
What is the InChIKey of 3-naphthalen-2-yl-5-phenyl-1H-pyrazole?
The InChIKey is OXYRULKRWFCJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-2-7-15(8-3-1)18-13-19(21-20-18)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,20,21).
What are the key properties of 3-naphthalen-2-yl-5-phenyl-1H-pyrazole?
3-naphthalen-2-yl-5-phenyl-1H-pyrazole has a molecular weight of 270.33 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-phenyl-1H-pyrazole is sourced from PubChem (CID 50992102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).