N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide

C12H10F3N3O2 — CID 47148594

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C12H10F3N3O2/c1-7-6-10(18-17-7)16-11(19)8-2-4-9(5-3-8)20-12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyPLXOZCUSCHLEOL-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.87
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide

N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 47148594) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
PubChem CID47148594
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C12H10F3N3O2/c1-7-6-10(18-17-7)16-11(19)8-2-4-9(5-3-8)20-12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyPLXOZCUSCHLEOL-UHFFFAOYSA-N
XLogP2.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 84550600
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 63822968
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47038574
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 83090269
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
tert-butyl N-[[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]phenyl]methyl]carbamate
CID 71940520
3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
N-(5-methyl-1H-pyrazol-3-yl)pyridazine-4-carboxamide
CID 115736164
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
CID 110469081

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide (CID 47148594) is N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide is Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is PLXOZCUSCHLEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7-6-10(18-17-7)16-11(19)8-2-4-9(5-3-8)20-12(13,14)15/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide?
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 285.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 47148594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).