N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C23H17F4N5O2 — CID 136963160

IUPACN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)c2)n1
InChIInChI=1S/C23H17F4N5O2/c1-2-14-11-19(33)31-21(29-14)13-6-5-7-15(10-13)30-22(34)16-12-28-32(20(16)23(25,26)27)18-9-4-3-8-17(18)24/h3-12H,2H2,1H3,(H,30,34)(H,29,31,33)
InChIKeyZWCAXMIFGFMEQF-UHFFFAOYSA-N
MW471.41 g/mol
LogP4.60
Rot. Bonds5

About N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 136963160) has the molecular formula C23H17F4N5O2 and a molecular weight of 471.41 g/mol. Its IUPAC name is N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID136963160
Molecular FormulaC23H17F4N5O2
Molecular Weight471.41 g/mol
Exact Mass471.13
IUPAC NameN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)c2)n1
InChIInChI=1S/C23H17F4N5O2/c1-2-14-11-19(33)31-21(29-14)13-6-5-7-15(10-13)30-22(34)16-12-28-32(20(16)23(25,26)27)18-9-4-3-8-17(18)24/h3-12H,2H2,1H3,(H,30,34)(H,29,31,33)
InChIKeyZWCAXMIFGFMEQF-UHFFFAOYSA-N
XLogP4.60
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822525
N-(3,4-dipropoxyphenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813782
N-[6-(diethylamino)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112833718
1-(2-fluorophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821467
5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide
CID 136961162
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CID 112846112
1-(2-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112843560
N-[(2S)-1-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 135994918
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
2-chloro-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 146083065
1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821605
1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 136963160) is N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)c2)n1.
What is the InChIKey of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZWCAXMIFGFMEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O2/c1-2-14-11-19(33)31-21(29-14)13-6-5-7-15(10-13)30-22(34)16-12-28-32(20(16)23(25,26)27)18-9-4-3-8-17(18)24/h3-12H,2H2,1H3,(H,30,34)(H,29,31,33).
What are the key properties of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 471.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 136963160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).