3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole

C24H18N2 — CID 21044120

IUPAC3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole
SMILESCc1ccc(C2=NN=C(c3cccc4ccccc34)C2)c2ccccc12
InChIInChI=1S/C24H18N2/c1-16-13-14-22(20-11-5-4-9-18(16)20)24-15-23(25-26-24)21-12-6-8-17-7-2-3-10-19(17)21/h2-14H,15H2,1H3
InChIKeyYGQADCXHXIHLGM-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.90
Rot. Bonds2

About 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole

3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole (PubChem CID 21044120) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole.

Molecular Properties

Compound Name3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole
PubChem CID21044120
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole
SMILESCc1ccc(C2=NN=C(c3cccc4ccccc34)C2)c2ccccc12
InChIInChI=1S/C24H18N2/c1-16-13-14-22(20-11-5-4-9-18(16)20)24-15-23(25-26-24)21-12-6-8-17-7-2-3-10-19(17)21/h2-14H,15H2,1H3
InChIKeyYGQADCXHXIHLGM-UHFFFAOYSA-N
XLogP5.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
9-[4-(4-methylnaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene;methylsulfanylmethane
CID 145436459
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
15-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 140872789
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
CID 136592861
methane;1-methylphenanthrene
CID 175001905

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole?
The IUPAC name of 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole (CID 21044120) is 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole.
What is the SMILES notation for 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole?
The canonical SMILES for 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole is Cc1ccc(C2=NN=C(c3cccc4ccccc34)C2)c2ccccc12.
What is the InChIKey of 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole?
The InChIKey is YGQADCXHXIHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-16-13-14-22(20-11-5-4-9-18(16)20)24-15-23(25-26-24)21-12-6-8-17-7-2-3-10-19(17)21/h2-14H,15H2,1H3.
What are the key properties of 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole?
3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole has a molecular weight of 334.42 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole is sourced from PubChem (CID 21044120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).