2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide

C17H22FN3O2 — CID 56863849

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NC(C)c2ccc(O)c(F)c2)c1C
InChIInChI=1S/C17H22FN3O2/c1-5-14-11(3)20-21(12(14)4)9-17(23)19-10(2)13-6-7-16(22)15(18)8-13/h6-8,10,22H,5,9H2,1-4H3,(H,19,23)
InChIKeyZPRFFRCCALIKHW-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide (PubChem CID 56863849) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide
PubChem CID56863849
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NC(C)c2ccc(O)c(F)c2)c1C
InChIInChI=1S/C17H22FN3O2/c1-5-14-11(3)20-21(12(14)4)9-17(23)19-10(2)13-6-7-16(22)15(18)8-13/h6-8,10,22H,5,9H2,1-4H3,(H,19,23)
InChIKeyZPRFFRCCALIKHW-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide
CID 655021
N-(4-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 742291
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(trifluoromethoxy)benzyl)acetamide
CID 38815595
N-(4-methoxybenzyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129712
N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1100793
2-[(2,3-difluoro-4-methoxybenzyl)amino]-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 50967100
N-[2-(4-hydroxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 54903792
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide
CID 71846287
N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 72844797
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 99972000
3-[(1S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propylamino]ethyl]phenol
CID 124627968
4-[[3-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol
CID 57062790

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide (CID 56863849) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide is CCc1c(C)nn(CC(=O)NC(C)c2ccc(O)c(F)c2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is ZPRFFRCCALIKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-5-14-11(3)20-21(12(14)4)9-17(23)19-10(2)13-6-7-16(22)15(18)8-13/h6-8,10,22H,5,9H2,1-4H3,(H,19,23).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 319.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 56863849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).