N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

C10H15F2N3O2 — CID 113462775

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCC(F)(F)CO)n1
InChIInChI=1S/C10H15F2N3O2/c1-7-3-8(2)15(14-7)4-9(17)13-5-10(11,12)6-16/h3,16H,4-6H2,1-2H3,(H,13,17)
InChIKeyBFLDAACUOQGSEZ-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.24
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 113462775) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID113462775
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCC(F)(F)CO)n1
InChIInChI=1S/C10H15F2N3O2/c1-7-3-8(2)15(14-7)4-9(17)13-5-10(11,12)6-16/h3,16H,4-6H2,1-2H3,(H,13,17)
InChIKeyBFLDAACUOQGSEZ-UHFFFAOYSA-N
XLogP0.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66170031
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368159
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
2-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113356416
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362411
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 113462775) is N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NCC(F)(F)CO)n1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is BFLDAACUOQGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-7-3-8(2)15(14-7)4-9(17)13-5-10(11,12)6-16/h3,16H,4-6H2,1-2H3,(H,13,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 247.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 113462775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).