N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide

C11H17F2N3O2 — CID 107482654

IUPACN-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H17F2N3O2/c1-7-9(8(2)15-14-7)5-11(18)16(3-4-17)6-10(12)13/h10,17H,3-6H2,1-2H3,(H,14,15)
InChIKeyZIQYIOZYAAXXFO-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.66
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide

N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482654) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482654
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC NameN-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H17F2N3O2/c1-7-9(8(2)15-14-7)5-11(18)16(3-4-17)6-10(12)13/h10,17H,3-6H2,1-2H3,(H,14,15)
InChIKeyZIQYIOZYAAXXFO-UHFFFAOYSA-N
XLogP0.66
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-2-hydroxy-N,4-dimethylpentanamide
CID 77090336
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 77092657
trans-1-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethoxypyrrolidin-3-ol
CID 91777202
1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110108500
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 121523542
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
CID 131894140
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 132309864
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 164640998
N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877509
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258620
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796311
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 86286068

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide (CID 107482654) is N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide is Cc1n[nH]c(C)c1CC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is ZIQYIOZYAAXXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-7-9(8(2)15-14-7)5-11(18)16(3-4-17)6-10(12)13/h10,17H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide?
N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 261.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).