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

C11H16F3N3O2 — CID 102977065

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7-9(8(2)16-15-7)5-10(19)17(3-4-18)6-11(12,13)14/h18H,3-6H2,1-2H3,(H,15,16)
InChIKeyIULNMKVEIPSPGP-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.95
Rot. Bonds5

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102977065) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102977065
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7-9(8(2)16-15-7)5-10(19)17(3-4-18)6-11(12,13)14/h18H,3-6H2,1-2H3,(H,15,16)
InChIKeyIULNMKVEIPSPGP-UHFFFAOYSA-N
XLogP0.95
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.95
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 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 102977065) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1n[nH]c(C)c1CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IULNMKVEIPSPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7-9(8(2)16-15-7)5-10(19)17(3-4-18)6-11(12,13)14/h18H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102977065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).