N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C27H31N3O — CID 58899482

IUPACN-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NC(C)c2cccc3ccccc23)CC1c1ccccc1
InChIInChI=1S/C27H31N3O/c1-3-4-6-18-26-25(22-12-7-5-8-13-22)19-30(29-26)27(31)28-20(2)23-17-11-15-21-14-9-10-16-24(21)23/h5,7-17,20,25H,3-4,6,18-19H2,1-2H3,(H,28,31)
InChIKeyHXNRPJTXDVYVID-UHFFFAOYSA-N
MW413.57 g/mol
LogP6.65
Rot. Bonds7

About N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 58899482) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID58899482
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC NameN-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NC(C)c2cccc3ccccc23)CC1c1ccccc1
InChIInChI=1S/C27H31N3O/c1-3-4-6-18-26-25(22-12-7-5-8-13-22)19-30(29-26)27(31)28-20(2)23-17-11-15-21-14-9-10-16-24(21)23/h5,7-17,20,25H,3-4,6,18-19H2,1-2H3,(H,28,31)
InChIKeyHXNRPJTXDVYVID-UHFFFAOYSA-N
XLogP6.65
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 24863230
5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carbonyl chloride
CID 58899460
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71189214
5-pentyl-4-phenyl-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 157413579
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407
1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 15920376
2-naphthalen-1-yldodecanoic acid
CID 23333439
5-butyl-4-(4-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrazole-2-carboxamide
CID 24863874

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 58899482) is N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is CCCCCC1=NN(C(=O)NC(C)c2cccc3ccccc23)CC1c1ccccc1.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is HXNRPJTXDVYVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c1-3-4-6-18-26-25(22-12-7-5-8-13-22)19-30(29-26)27(31)28-20(2)23-17-11-15-21-14-9-10-16-24(21)23/h5,7-17,20,25H,3-4,6,18-19H2,1-2H3,(H,28,31).
What are the key properties of N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 58899482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).