1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole

C16H12N4 — CID 101492469

IUPAC1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole
SMILESc1cc(-n2cccn2)c2c(-n3cccn3)cccc2c1
InChIInChI=1S/C16H12N4/c1-5-13-6-2-8-15(20-12-4-10-18-20)16(13)14(7-1)19-11-3-9-17-19/h1-12H
InChIKeySBXAYTOAFFHISZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.21
Rot. Bonds2

About 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole

1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole (PubChem CID 101492469) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole.

Molecular Properties

Compound Name1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole
PubChem CID101492469
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole
SMILESc1cc(-n2cccn2)c2c(-n3cccn3)cccc2c1
InChIInChI=1S/C16H12N4/c1-5-13-6-2-8-15(20-12-4-10-18-20)16(13)14(7-1)19-11-3-9-17-19/h1-12H
InChIKeySBXAYTOAFFHISZ-UHFFFAOYSA-N
XLogP3.21
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1H-indazole
CID 304268
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340
N-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-3-(1H-pyrazol-1-yl)propan-1-amine
CID 16190821
4-(1-methyl-3-pyrrolidinyl)-1-[3-(1H-pyrazol-1-yl)benzyl]piperidine
CID 45245513
4-(4-Methyl-3-pyridinyl)-1-phenylindazole
CID 127033243
1-(naphthalen-1-yl)-1H-pyrazole
CID 647305
1,3-Diphenyl-1H-pyrazole
CID 613284
2H-Indazole, 2-(2-fluorophenyl)-
CID 3067341
2-(4-Fluorophenyl)-2H-indazole
CID 3067343
2H-Indazole, 2-(4-iodophenyl)-
CID 3067344
Benzonitrile, 3-(2H-indazol-2-yl)-
CID 3067345

Frequently Asked Questions

What is the IUPAC name of 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole?
The IUPAC name of 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole (CID 101492469) is 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole.
What is the SMILES notation for 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole?
The canonical SMILES for 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole is c1cc(-n2cccn2)c2c(-n3cccn3)cccc2c1.
What is the InChIKey of 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole?
The InChIKey is SBXAYTOAFFHISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-5-13-6-2-8-15(20-12-4-10-18-20)16(13)14(7-1)19-11-3-9-17-19/h1-12H.
What are the key properties of 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole?
1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole has a molecular weight of 260.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole is sourced from PubChem (CID 101492469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).