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

C32H24N8 — CID 139127011

IUPAC1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole
SMILESc1cc(-n2cccn2)c2c(-n3cccn3)cccc2c1.c1cc(-n2cccn2)c2c(-n3cccn3)cccc2c1
InChIInChI=1S/2C16H12N4/c2*1-5-13-6-2-8-15(20-12-4-10-18-20)16(13)14(7-1)19-11-3-9-17-19/h2*1-12H
InChIKeyZZADJGDOQNOOPV-UHFFFAOYSA-N
MW520.60 g/mol
LogP6.42
Rot. Bonds4

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

1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole (PubChem CID 139127011) has the molecular formula C32H24N8 and a molecular weight of 520.60 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 CID139127011
Molecular FormulaC32H24N8
Molecular Weight520.60 g/mol
Exact Mass520.21
IUPAC Name1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole
SMILESc1cc(-n2cccn2)c2c(-n3cccn3)cccc2c1.c1cc(-n2cccn2)c2c(-n3cccn3)cccc2c1
InChIInChI=1S/2C16H12N4/c2*1-5-13-6-2-8-15(20-12-4-10-18-20)16(13)14(7-1)19-11-3-9-17-19/h2*1-12H
InChIKeyZZADJGDOQNOOPV-UHFFFAOYSA-N
XLogP6.42
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(naphthalen-1-yl)-1H-pyrazole
CID 647305
(1e,2e)-1,2-Bis((1,3-diphenyl-1h-pyrazol-4-yl)methylene)hydrazine
CID 10648840
2-(1-Naphthalenyl)-2H-indazole
CID 72567193
3-(Trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole
CID 58947707
1-[2-[2-[2-[2-(3-Methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 70790409
3-fluoro-1-N,1-N,6-N,6-N-tetra(pyrrol-1-yl)pyrene-1,6-diamine
CID 176881351
3,8-difluoro-1-N,1-N,6-N,6-N-tetra(pyrrol-1-yl)pyrene-1,6-diamine
CID 176881462
1-[1-(2-Pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole
CID 42603894
1-[2,6-bis[(E)-2-naphthalen-2-ylethenyl]phenyl]pyrazole
CID 44255633
1-(1,2,3,4,5,6,7,8-Octakis-phenylanthracen-9-yl)pyrazole
CID 50942536
1-(8-Pyrazol-1-ylnaphthalen-1-yl)pyrazole
CID 101492469
4-Methyl-1-naphthalen-1-yl-3-phenylpyrazole
CID 101534847

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 139127011) 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.c1cc(-n2cccn2)c2c(-n3cccn3)cccc2c1.
What is the InChIKey of 1-(8-pyrazol-1-ylnaphthalen-1-yl)pyrazole?
The InChIKey is ZZADJGDOQNOOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12N4/c2*1-5-13-6-2-8-15(20-12-4-10-18-20)16(13)14(7-1)19-11-3-9-17-19/h2*1-12H.
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 520.60 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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 139127011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).