2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

C15H19F2N3O2S — CID 111441867

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C15H19F2N3O2S/c1-9-11(10(2)20(19-9)14(16)17)7-13(21)18-8-15(3,22)12-5-4-6-23-12/h4-6,14,22H,7-8H2,1-3H3,(H,18,21)
InChIKeyZSBVCOMLVDLMAC-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.52
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (PubChem CID 111441867) has the molecular formula C15H19F2N3O2S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
PubChem CID111441867
Molecular FormulaC15H19F2N3O2S
Molecular Weight343.40 g/mol
Exact Mass343.12
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C15H19F2N3O2S/c1-9-11(10(2)20(19-9)14(16)17)7-13(21)18-8-15(3,22)12-5-4-6-23-12/h4-6,14,22H,7-8H2,1-3H3,(H,18,21)
InChIKeyZSBVCOMLVDLMAC-UHFFFAOYSA-N
XLogP2.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 72002897
3-(4-fluorophenyl)-N-(2-hydroxy-2-(thiophen-2-yl)propyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 71796920
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 71985084
3-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 75405477
3-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methylpyrazole-5-carboxamide
CID 95986238
3-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methylpyrazole-5-carboxamide
CID 95986239
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 96567052
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 96567053
(3S)-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 97201669
(3R)-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 97201670
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 111441281
1-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 111441949

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (CID 111441867) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is ZSBVCOMLVDLMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2S/c1-9-11(10(2)20(19-9)14(16)17)7-13(21)18-8-15(3,22)12-5-4-6-23-12/h4-6,14,22H,7-8H2,1-3H3,(H,18,21).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 111441867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).