2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide

C13H22ClN3O2 — CID 110027942

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
SMILESCc1nn(C)c(Cl)c1CC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C13H22ClN3O2/c1-8-9(12(14)17(5)16-8)6-11(19)15-7-10(18)13(2,3)4/h10,18H,6-7H2,1-5H3,(H,15,19)
InChIKeyGXYLWDIGXGABSL-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.45
Rot. Bonds4

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide (PubChem CID 110027942) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
PubChem CID110027942
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
SMILESCc1nn(C)c(Cl)c1CC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C13H22ClN3O2/c1-8-9(12(14)17(5)16-8)6-11(19)15-7-10(18)13(2,3)4/h10,18H,6-7H2,1-5H3,(H,15,19)
InChIKeyGXYLWDIGXGABSL-UHFFFAOYSA-N
XLogP1.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 110027961
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-hydroxy-4,4-dimethylpentan-2-one
CID 103456367
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 110027918
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methyl-3-propan-2-ylpentan-2-one
CID 114281965
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one
CID 116564972
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-one
CID 116592681
3-(aminomethyl)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methylpentan-2-one
CID 116573924
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592989
2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 114144238
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide
CID 110028148
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
CID 110027846

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide (CID 110027942) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide is Cc1nn(C)c(Cl)c1CC(=O)NCC(O)C(C)(C)C.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide?
The InChIKey is GXYLWDIGXGABSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-8-9(12(14)17(5)16-8)6-11(19)15-7-10(18)13(2,3)4/h10,18H,6-7H2,1-5H3,(H,15,19).
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide has a molecular weight of 287.79 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide is sourced from PubChem (CID 110027942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).