2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C16H18ClN3O — CID 91761197

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-15(17)9-20(19-11)10-16(21)18-14-7-6-12-4-2-3-5-13(12)8-14/h2-5,9,14H,6-8,10H2,1H3,(H,18,21)
InChIKeyNOGMUVKKBZBINK-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 91761197) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID91761197
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-15(17)9-20(19-11)10-16(21)18-14-7-6-12-4-2-3-5-13(12)8-14/h2-5,9,14H,6-8,10H2,1H3,(H,18,21)
InChIKeyNOGMUVKKBZBINK-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 131908727
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 62305100
2-propan-2-yloxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 112686633
2-(4-aminopyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 107843288
2-(3-aminopyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 107843305
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 20872301
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 45215332
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 55406074
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 91761197) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is Cc1nn(CC(=O)NC2CCc3ccccc3C2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is NOGMUVKKBZBINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-15(17)9-20(19-11)10-16(21)18-14-7-6-12-4-2-3-5-13(12)8-14/h2-5,9,14H,6-8,10H2,1H3,(H,18,21).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 91761197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).