2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C14H16FN3O2 — CID 103856029

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1F
InChIInChI=1S/C14H16FN3O2/c1-9(11-7-16-17-8-11)18-14(19)6-10-3-4-13(20-2)12(15)5-10/h3-5,7-9H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRHHSDBKYTZEGHF-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.98
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856029) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856029
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1F
InChIInChI=1S/C14H16FN3O2/c1-9(11-7-16-17-8-11)18-14(19)6-10-3-4-13(20-2)12(15)5-10/h3-5,7-9H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRHHSDBKYTZEGHF-UHFFFAOYSA-N
XLogP1.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856634
2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856392
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667459
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 47246815
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94038782

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856029) is 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is COc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is RHHSDBKYTZEGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9(11-7-16-17-8-11)18-14(19)6-10-3-4-13(20-2)12(15)5-10/h3-5,7-9H,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).