1-methyl-4-naphthalen-1-ylpyrazole

C14H12N2 — CID 97034296

IUPAC1-methyl-4-naphthalen-1-ylpyrazole
SMILESCn1cc(-c2cccc3ccccc23)cn1
InChIInChI=1S/C14H12N2/c1-16-10-12(9-15-16)14-8-4-6-11-5-2-3-7-13(11)14/h2-10H,1H3
InChIKeyFJYZLAUQNCEEPZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.24
Rot. Bonds1

About 1-methyl-4-naphthalen-1-ylpyrazole

1-methyl-4-naphthalen-1-ylpyrazole (PubChem CID 97034296) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-4-naphthalen-1-ylpyrazole.

Molecular Properties

Compound Name1-methyl-4-naphthalen-1-ylpyrazole
PubChem CID97034296
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-methyl-4-naphthalen-1-ylpyrazole
SMILESCn1cc(-c2cccc3ccccc23)cn1
InChIInChI=1S/C14H12N2/c1-16-10-12(9-15-16)14-8-4-6-11-5-2-3-7-13(11)14/h2-10H,1H3
InChIKeyFJYZLAUQNCEEPZ-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-naphthalen-1-ylpyrazole?
The IUPAC name of 1-methyl-4-naphthalen-1-ylpyrazole (CID 97034296) is 1-methyl-4-naphthalen-1-ylpyrazole.
What is the SMILES notation for 1-methyl-4-naphthalen-1-ylpyrazole?
The canonical SMILES for 1-methyl-4-naphthalen-1-ylpyrazole is Cn1cc(-c2cccc3ccccc23)cn1.
What is the InChIKey of 1-methyl-4-naphthalen-1-ylpyrazole?
The InChIKey is FJYZLAUQNCEEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-16-10-12(9-15-16)14-8-4-6-11-5-2-3-7-13(11)14/h2-10H,1H3.
What are the key properties of 1-methyl-4-naphthalen-1-ylpyrazole?
1-methyl-4-naphthalen-1-ylpyrazole has a molecular weight of 208.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-naphthalen-1-ylpyrazole is sourced from PubChem (CID 97034296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).