2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C17H21N3O — CID 70693431

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C17H21N3O/c1-11-15(12(2)20-19-11)10-17(21)18-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,16H,5,7,9-10H2,1-2H3,(H,18,21)(H,19,20)/t16-/m0/s1
InChIKeyUGZPNFREQLBWTM-INIZCTEOSA-N
MW283.38 g/mol
LogP2.76
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 70693431) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID70693431
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C17H21N3O/c1-11-15(12(2)20-19-11)10-17(21)18-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,16H,5,7,9-10H2,1-2H3,(H,18,21)(H,19,20)/t16-/m0/s1
InChIKeyUGZPNFREQLBWTM-INIZCTEOSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20953939
N-isopropyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20953956
N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654751
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654752
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654832
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 5307650
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 20950858
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654664
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654746
N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654833
n-[(3-Chloro-2-methylphenyl)methyl]-2-(3,5-dimethyl-1h-pyrazol-4-yl)acetamide
CID 57737869
2-(3,5-Diethyl-1H-pyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 57737871

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 70693431) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is UGZPNFREQLBWTM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-15(12(2)20-19-11)10-17(21)18-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,16H,5,7,9-10H2,1-2H3,(H,18,21)(H,19,20)/t16-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 70693431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).