2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

C17H16FN5O3 — CID 135752961

IUPAC2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN5O3/c1-10-8-15(24)21-17(19-10)23-14(7-11(2)22-23)20-16(25)9-26-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyNEIFPYJJAUCJPD-UHFFFAOYSA-N
MW357.35 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135752961) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135752961
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN5O3/c1-10-8-15(24)21-17(19-10)23-14(7-11(2)22-23)20-16(25)9-26-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyNEIFPYJJAUCJPD-UHFFFAOYSA-N
XLogP1.73
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-2-(p-tolyloxy)acetamide
CID 135752958
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
2-(5-Anilino-3-methylpyrazol-1-yl)ethyl 2-phenoxyacetate
CID 2363277
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 16030775
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 42733093
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(2-fluorophenoxy)acetamide
CID 135551724
N-[2-(4,5-Dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
CID 135881089
2-(2-fluorophenoxy)-N-[3-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 16030752
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 16030773
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16367550
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-phenoxybutanamide
CID 16030787
2-(2-fluorophenoxy)-N-(1-(4-isopropyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135912532

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135752961) is 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is NEIFPYJJAUCJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-10-8-15(24)21-17(19-10)23-14(7-11(2)22-23)20-16(25)9-26-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,20,25)(H,19,21,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 357.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135752961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).