4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole

C19H19N5 — CID 56722346

IUPAC4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
SMILESCc1nn(Cc2nncn2-c2cccc3ccccc23)c(C)c1C
InChIInChI=1S/C19H19N5/c1-13-14(2)22-24(15(13)3)11-19-21-20-12-23(19)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,12H,11H2,1-3H3
InChIKeyRFVDBFIPBTVXKX-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.59
Rot. Bonds3

About 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole

4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole (PubChem CID 56722346) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
PubChem CID56722346
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
SMILESCc1nn(Cc2nncn2-c2cccc3ccccc23)c(C)c1C
InChIInChI=1S/C19H19N5/c1-13-14(2)22-24(15(13)3)11-19-21-20-12-23(19)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,12H,11H2,1-3H3
InChIKeyRFVDBFIPBTVXKX-UHFFFAOYSA-N
XLogP3.59
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
CID 56712174
3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
CID 91542919
4-(3-bromo-2-methylphenyl)-3-(chloromethyl)-1,2,4-triazole
CID 107640401
[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 54970589
[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methanamine
CID 62441349
(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol
CID 84617838
6,7-dimethyl-3-naphthalen-1-ylimidazo[4,5-b]pyridine
CID 59841549
1-(3-naphthalen-1-ylimidazol-4-yl)ethanamine
CID 114702749
2-[4-(2-methylphenyl)-1,2,4-triazol-3-yl]acetic acid
CID 82393478
2-fluoro-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 107347654
2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)aniline
CID 61224584
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-3-methylquinazolin-4-one
CID 35418570

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole?
The IUPAC name of 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole (CID 56722346) is 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole is Cc1nn(Cc2nncn2-c2cccc3ccccc23)c(C)c1C.
What is the InChIKey of 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole?
The InChIKey is RFVDBFIPBTVXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-14(2)22-24(15(13)3)11-19-21-20-12-23(19)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,12H,11H2,1-3H3.
What are the key properties of 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole?
4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole has a molecular weight of 317.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 56722346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).