N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

C15H18FN3O3 — CID 122558401

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2c(C)[nH][nH]c2=O)cc1F
InChIInChI=1S/C15H18FN3O3/c1-8(10-4-5-13(22-3)12(16)6-10)17-14(20)7-11-9(2)18-19-15(11)21/h4-6,8H,7H2,1-3H3,(H,17,20)(H2,18,19,21)
InChIKeyINWHKEWOURLCIL-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.58
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (PubChem CID 122558401) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
PubChem CID122558401
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2c(C)[nH][nH]c2=O)cc1F
InChIInChI=1S/C15H18FN3O3/c1-8(10-4-5-13(22-3)12(16)6-10)17-14(20)7-11-9(2)18-19-15(11)21/h4-6,8H,7H2,1-3H3,(H,17,20)(H2,18,19,21)
InChIKeyINWHKEWOURLCIL-UHFFFAOYSA-N
XLogP1.58
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 56871484
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 51073344
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-2-ylacetamide
CID 56704438
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949949
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (CID 122558401) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is COc1ccc(C(C)NC(=O)Cc2c(C)[nH][nH]c2=O)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The InChIKey is INWHKEWOURLCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-8(10-4-5-13(22-3)12(16)6-10)17-14(20)7-11-9(2)18-19-15(11)21/h4-6,8H,7H2,1-3H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide has a molecular weight of 307.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 122558401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).