5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide

C17H18N6O — CID 167921599

IUPAC5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)Nc1ccnn1C1CCCc2ccccc21
InChIInChI=1S/C17H18N6O/c1-11-16(21-22-20-11)17(24)19-15-9-10-18-23(15)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyUWSKYIHVHYYQJD-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.49
Rot. Bonds3

About 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide

5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide (PubChem CID 167921599) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide
PubChem CID167921599
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)Nc1ccnn1C1CCCc2ccccc21
InChIInChI=1S/C17H18N6O/c1-11-16(21-22-20-11)17(24)19-15-9-10-18-23(15)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyUWSKYIHVHYYQJD-UHFFFAOYSA-N
XLogP2.49
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-2-yl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]acetamide
CID 119865826
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CID 164635258
3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide
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CID 95240052
2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide
CID 164636807
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]acetamide
CID 154834618
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2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide
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3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide
CID 95150327
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 95042358
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826506
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826507

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide (CID 167921599) is 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)Nc1ccnn1C1CCCc2ccccc21.
What is the InChIKey of 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide?
The InChIKey is UWSKYIHVHYYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11-16(21-22-20-11)17(24)19-15-9-10-18-23(15)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide?
5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 167921599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).