N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C18H14F4N4O2 — CID 51284677

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F4N4O2/c1-11-8-15(26(24-11)14-5-3-13(19)4-6-14)23-16(27)10-25-9-12(18(20,21)22)2-7-17(25)28/h2-9H,10H2,1H3,(H,23,27)
InChIKeyKYPDNHXGWUCVNC-UHFFFAOYSA-N
MW394.33 g/mol
LogP3.14
Rot. Bonds4

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 51284677) has the molecular formula C18H14F4N4O2 and a molecular weight of 394.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID51284677
Molecular FormulaC18H14F4N4O2
Molecular Weight394.33 g/mol
Exact Mass394.11
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F4N4O2/c1-11-8-15(26(24-11)14-5-3-13(19)4-6-14)23-16(27)10-25-9-12(18(20,21)22)2-7-17(25)28/h2-9H,10H2,1H3,(H,23,27)
InChIKeyKYPDNHXGWUCVNC-UHFFFAOYSA-N
XLogP3.14
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 99831506
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51286491
2-(benzotriazol-1-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 35593189
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103
N-(2,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623835
5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide
CID 166188150
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284669
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7999178
7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride
CID 119680110
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51288032

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 51284677) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KYPDNHXGWUCVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O2/c1-11-8-15(26(24-11)14-5-3-13(19)4-6-14)23-16(27)10-25-9-12(18(20,21)22)2-7-17(25)28/h2-9H,10H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 394.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 51284677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).