N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C16H12F3N5O2 — CID 53493640

IUPACN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)11-4-1-3-10(7-11)8-13(25)22-12-9-20-15(23-14(12)26)24-6-2-5-21-24/h1-7,9H,8H2,(H,22,25)(H,20,23,26)
InChIKeyWOOICZQLUMSXLU-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.16
Rot. Bonds4

About N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 53493640) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID53493640
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC NameN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)11-4-1-3-10(7-11)8-13(25)22-12-9-20-15(23-14(12)26)24-6-2-5-21-24/h1-7,9H,8H2,(H,22,25)(H,20,23,26)
InChIKeyWOOICZQLUMSXLU-UHFFFAOYSA-N
XLogP2.16
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide
CID 53493772
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122292140
N-(3-chloro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 39959255
2-(3-fluoro-4-methoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725790
1-(2-pyrazol-1-ylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47040921
2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39189076
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67184957
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
N-[2-(5-methyl-1,5-dihydropyrazol-2-yl)-6-oxo-1H-pyrimidin-5-yl]-3-(trifluoromethyl)benzamide
CID 123462095
2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78817314

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 53493640) is N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WOOICZQLUMSXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)11-4-1-3-10(7-11)8-13(25)22-12-9-20-15(23-14(12)26)24-6-2-5-21-24/h1-7,9H,8H2,(H,22,25)(H,20,23,26).
What are the key properties of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53493640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).