[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C25H28N2O2 — CID 54120497

IUPAC[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCCn1ncc(C(=O)c2ccc3c(c2C)CCCC3)c1OCc1ccc(C)cc1
InChIInChI=1S/C25H28N2O2/c1-4-27-25(29-16-19-11-9-17(2)10-12-19)23(15-26-27)24(28)22-14-13-20-7-5-6-8-21(20)18(22)3/h9-15H,4-8,16H2,1-3H3
InChIKeyNNJANLCWXJICNJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.21
Rot. Bonds6

About [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 54120497) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID54120497
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCCn1ncc(C(=O)c2ccc3c(c2C)CCCC3)c1OCc1ccc(C)cc1
InChIInChI=1S/C25H28N2O2/c1-4-27-25(29-16-19-11-9-17(2)10-12-19)23(15-26-27)24(28)22-14-13-20-7-5-6-8-21(20)18(22)3/h9-15H,4-8,16H2,1-3H3
InChIKeyNNJANLCWXJICNJ-UHFFFAOYSA-N
XLogP5.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)benzylidene]tetralin-1-one
CID 9551496
[1-Ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
CID 53674733
[1-Ethyl-4-[4,7,7-trimethyl-8-oxo-1-(trifluoromethyl)-5,6-dihydronaphthalene-2-carbonyl]pyrazol-5-yl] cyclohexanecarboxylate
CID 53683000
[2-Chloro-3,5-dimethyl-4-(trifluoromethyl)phenyl]-(1-methyl-5-phenylmethoxypyrazol-4-yl)methanone
CID 53836823
[3,5-Dimethyl-4-methylsulfonyl-2-(trifluoromethyl)phenyl]-(1-ethyl-5-phenylmethoxypyrazol-4-yl)methanone
CID 53896860
[2-Chloro-3,5-dimethyl-4-(trifluoromethyl)phenyl]-(1-ethyl-5-phenylmethoxypyrazol-4-yl)methanone
CID 53921084
2-[4-[2-Chloro-3,5-dimethyl-4-(trifluoromethyl)benzoyl]-1-methylpyrazol-5-yl]oxy-1-phenylethanone
CID 54051143
2-[4-[2-Chloro-3,5-dimethyl-4-(trifluoromethyl)benzoyl]-1-ethylpyrazol-5-yl]oxy-1-phenylethanone
CID 54226361
[3,5-Dimethyl-4-methylsulfonyl-2-(trifluoromethyl)phenyl]-(1-methyl-5-phenylmethoxypyrazol-4-yl)methanone
CID 54344025
[1-Methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
CID 54357284
(2,4-Dichloro-3,5-dimethylphenyl)-[1-ethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-4-yl]methanone
CID 54457803
2-[2-Methyl-4-[2-(methylsulfonylmethyl)-4-(trifluoromethyl)benzoyl]pyrazol-3-yl]oxy-1-[4-(trifluoromethyl)phenyl]ethanone
CID 58764938

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 54120497) is [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone is CCn1ncc(C(=O)c2ccc3c(c2C)CCCC3)c1OCc1ccc(C)cc1.
What is the InChIKey of [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is NNJANLCWXJICNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-4-27-25(29-16-19-11-9-17(2)10-12-19)23(15-26-27)24(28)22-14-13-20-7-5-6-8-21(20)18(22)3/h9-15H,4-8,16H2,1-3H3.
What are the key properties of [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 388.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-4-yl]-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 54120497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).