5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole

C26H18N4 — CID 42603891

IUPAC5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole
SMILESc1ccc2c(-c3c(-c4ccn[nH]4)ccc4ccccc34)c(-c3ccn[nH]3)ccc2c1
InChIInChI=1S/C26H18N4/c1-3-7-19-17(5-1)9-11-21(23-13-15-27-29-23)25(19)26-20-8-4-2-6-18(20)10-12-22(26)24-14-16-28-30-24/h1-16H,(H,27,29)(H,28,30)
InChIKeyFNXBOPDZZKRVAL-UHFFFAOYSA-N
MW386.46 g/mol
LogP6.44
Rot. Bonds3

About 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole

5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole (PubChem CID 42603891) has the molecular formula C26H18N4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole
PubChem CID42603891
Molecular FormulaC26H18N4
Molecular Weight386.46 g/mol
Exact Mass386.15
IUPAC Name5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole
SMILESc1ccc2c(-c3c(-c4ccn[nH]4)ccc4ccccc34)c(-c3ccn[nH]3)ccc2c1
InChIInChI=1S/C26H18N4/c1-3-7-19-17(5-1)9-11-21(23-13-15-27-29-23)25(19)26-20-8-4-2-6-18(20)10-12-22(26)24-14-16-28-30-24/h1-16H,(H,27,29)(H,28,30)
InChIKeyFNXBOPDZZKRVAL-UHFFFAOYSA-N
XLogP6.44
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzhydryl-1H-pyrazole
CID 2806015
3-(naphthalen-1-yl)-1H-pyrazole
CID 2737035
6-methyl-4-phenyl-1H-indazole
CID 127046306
4-phenyl-6-propan-2-yl-1H-indazole
CID 127047212
1-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}propan-2-amine
CID 16187552
3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
CID 11089757
N-ethyl-N-{[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 16188656
(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 165122749
5,5'-bis(2,4-dimethylphenyl)-1H,2'H-3,3'-bipyrazole
CID 398009
5-[2-(Diphenylphosphanyl)phenyl]-1H-pyrazole
CID 59804940
3-(2-Naphthyl)pyrazole
CID 2737036
3-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazole
CID 5323623

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole?
The IUPAC name of 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole (CID 42603891) is 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole is c1ccc2c(-c3c(-c4ccn[nH]4)ccc4ccccc34)c(-c3ccn[nH]3)ccc2c1.
What is the InChIKey of 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole?
The InChIKey is FNXBOPDZZKRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4/c1-3-7-19-17(5-1)9-11-21(23-13-15-27-29-23)25(19)26-20-8-4-2-6-18(20)10-12-22(26)24-14-16-28-30-24/h1-16H,(H,27,29)(H,28,30).
What are the key properties of 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole?
5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole has a molecular weight of 386.46 g/mol, XLogP of 6.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(1H-pyrazol-5-yl)naphthalen-1-yl]naphthalen-2-yl]-1H-pyrazole is sourced from PubChem (CID 42603891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).