4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide

C18H15F3N4O2 — CID 55794847

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)cc2)n1
InChIInChI=1S/C18H15F3N4O2/c1-10-7-11(2)25(24-10)14-5-3-12(4-6-14)16(26)23-15-8-13(18(19,20)21)9-22-17(15)27/h3-9H,1-2H3,(H,22,27)(H,23,26)
InChIKeyRMWZLKDNQHYUQA-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.45
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide (PubChem CID 55794847) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
PubChem CID55794847
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)cc2)n1
InChIInChI=1S/C18H15F3N4O2/c1-10-7-11(2)25(24-10)14-5-3-12(4-6-14)16(26)23-15-8-13(18(19,20)21)9-22-17(15)27/h3-9H,1-2H3,(H,22,27)(H,23,26)
InChIKeyRMWZLKDNQHYUQA-UHFFFAOYSA-N
XLogP3.45
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 9110177
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765682
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide
CID 94145652

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide (CID 55794847) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide?
The InChIKey is RMWZLKDNQHYUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-10-7-11(2)25(24-10)14-5-3-12(4-6-14)16(26)23-15-8-13(18(19,20)21)9-22-17(15)27/h3-9H,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide has a molecular weight of 376.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide is sourced from PubChem (CID 55794847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).