1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole

C26H18N4 — CID 42603894

IUPAC1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole
SMILESc1ccc2c(-c3c(-n4cccn4)ccc4ccccc34)c(-n3cccn3)ccc2c1
InChIInChI=1S/C26H18N4/c1-3-9-21-19(7-1)11-13-23(29-17-5-15-27-29)25(21)26-22-10-4-2-8-20(22)12-14-24(26)30-18-6-16-28-30/h1-18H
InChIKeyYTPNGKJTLSZADQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP6.03
Rot. Bonds3

About 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole

1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole (PubChem CID 42603894) has the molecular formula C26H18N4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole.

Molecular Properties

Compound Name1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole
PubChem CID42603894
Molecular FormulaC26H18N4
Molecular Weight386.46 g/mol
Exact Mass386.15
IUPAC Name1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole
SMILESc1ccc2c(-c3c(-n4cccn4)ccc4ccccc34)c(-n3cccn3)ccc2c1
InChIInChI=1S/C26H18N4/c1-3-9-21-19(7-1)11-13-23(29-17-5-15-27-29)25(21)26-22-10-4-2-8-20(22)12-14-24(26)30-18-6-16-28-30/h1-18H
InChIKeyYTPNGKJTLSZADQ-UHFFFAOYSA-N
XLogP6.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[6-(1-Methylpyrazol-4-yl)indazol-1-yl]methyl]quinoline
CID 71739682
1-(naphthalen-1-yl)-1H-pyrazole
CID 647305
US11787780, Example 20
CID 166917319
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanamine
CID 16190473
1-(4-Fluorophenyl)-5-(2-methylphenyl)indazole
CID 46830797
4-(1-(naphthalen-2-yl)-1H-pyrazol-5-yl)pyridine
CID 54581362
5-(Di-tert-butylphosphanyl)-1-(naphthalen-1-yl)-1H-pyrazole
CID 53430915
1,1'-(2,2',3,3',5,5',6,6'-octafluoro-4,4'-biphenyldiyl)bis-1H-pyrazole
CID 2178095
4-[5-(4-Fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 15890048
6-[[6-(1-Methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline
CID 71739813
4-(3-Methyl-1-phenyl-1h-pyrazol-5-yl)-1,3-diphenyl-1h-pyrazole
CID 76313403
(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole
CID 90673957

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole?
The IUPAC name of 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole (CID 42603894) is 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole.
What is the SMILES notation for 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole?
The canonical SMILES for 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole is c1ccc2c(-c3c(-n4cccn4)ccc4ccccc34)c(-n3cccn3)ccc2c1.
What is the InChIKey of 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole?
The InChIKey is YTPNGKJTLSZADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4/c1-3-9-21-19(7-1)11-13-23(29-17-5-15-27-29)25(21)26-22-10-4-2-8-20(22)12-14-24(26)30-18-6-16-28-30/h1-18H.
What are the key properties of 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole?
1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole has a molecular weight of 386.46 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyrazol-1-ylnaphthalen-1-yl)naphthalen-2-yl]pyrazole is sourced from PubChem (CID 42603894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).