4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole

C16H12N4 — CID 168867710

IUPAC4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
SMILESc1cc2ccc(-c3cn[nH]c3)cc2cc1-c1cn[nH]c1
InChIInChI=1S/C16H12N4/c1-3-12(15-7-17-18-8-15)5-14-6-13(4-2-11(1)14)16-9-19-20-10-16/h1-10H,(H,17,18)(H,19,20)
InChIKeyLMKMJVWIWWLLQF-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.62
Rot. Bonds2

About 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole

4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole (PubChem CID 168867710) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
PubChem CID168867710
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
SMILESc1cc2ccc(-c3cn[nH]c3)cc2cc1-c1cn[nH]c1
InChIInChI=1S/C16H12N4/c1-3-12(15-7-17-18-8-15)5-14-6-13(4-2-11(1)14)16-9-19-20-10-16/h1-10H,(H,17,18)(H,19,20)
InChIKeyLMKMJVWIWWLLQF-UHFFFAOYSA-N
XLogP3.62
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole?
The IUPAC name of 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole (CID 168867710) is 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole.
What is the SMILES notation for 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole?
The canonical SMILES for 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole is c1cc2ccc(-c3cn[nH]c3)cc2cc1-c1cn[nH]c1.
What is the InChIKey of 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole?
The InChIKey is LMKMJVWIWWLLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-3-12(15-7-17-18-8-15)5-14-6-13(4-2-11(1)14)16-9-19-20-10-16/h1-10H,(H,17,18)(H,19,20).
What are the key properties of 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole?
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole has a molecular weight of 260.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole is sourced from PubChem (CID 168867710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).