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

C15H20ClN3O2S — CID 110028148

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide
SMILESCc1nn(C)c(Cl)c1CC(=O)NC(C)CC(O)c1cccs1
InChIInChI=1S/C15H20ClN3O2S/c1-9(7-12(20)13-5-4-6-22-13)17-14(21)8-11-10(2)18-19(3)15(11)16/h4-6,9,12,20H,7-8H2,1-3H3,(H,17,21)
InChIKeyKLOINWSWCPRNQP-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.61
Rot. Bonds6

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide (PubChem CID 110028148) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide
PubChem CID110028148
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide
SMILESCc1nn(C)c(Cl)c1CC(=O)NC(C)CC(O)c1cccs1
InChIInChI=1S/C15H20ClN3O2S/c1-9(7-12(20)13-5-4-6-22-13)17-14(21)8-11-10(2)18-19(3)15(11)16/h4-6,9,12,20H,7-8H2,1-3H3,(H,17,21)
InChIKeyKLOINWSWCPRNQP-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
CID 110027846
(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 97249768
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050711
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 110027961
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 110027918
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 110027942
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[1-(4-ethylphenyl)-2-hydroxyethyl]acetamide
CID 110028247
(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide
CID 110026098
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one
CID 116564972
2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide
CID 71910995

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide (CID 110028148) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide is Cc1nn(C)c(Cl)c1CC(=O)NC(C)CC(O)c1cccs1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide?
The InChIKey is KLOINWSWCPRNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-9(7-12(20)13-5-4-6-22-13)17-14(21)8-11-10(2)18-19(3)15(11)16/h4-6,9,12,20H,7-8H2,1-3H3,(H,17,21).
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide has a molecular weight of 341.86 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide is sourced from PubChem (CID 110028148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).