N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide

C20H18F3N3O — CID 42686462

IUPACN-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide
SMILESCCCc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3O/c1-2-6-16-18(17(26-25-16)13-7-4-3-5-8-13)24-19(27)14-9-11-15(12-10-14)20(21,22)23/h3-5,7-12H,2,6H2,1H3,(H,24,27)(H,25,26)
InChIKeyOWQFXFXEXWLUCV-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.30
Rot. Bonds5

About N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide

N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 42686462) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID42686462
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide
SMILESCCCc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3O/c1-2-6-16-18(17(26-25-16)13-7-4-3-5-8-13)24-19(27)14-9-11-15(12-10-14)20(21,22)23/h3-5,7-12H,2,6H2,1H3,(H,24,27)(H,25,26)
InChIKeyOWQFXFXEXWLUCV-UHFFFAOYSA-N
XLogP5.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide (CID 42686462) is N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide is CCCc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is OWQFXFXEXWLUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-2-6-16-18(17(26-25-16)13-7-4-3-5-8-13)24-19(27)14-9-11-15(12-10-14)20(21,22)23/h3-5,7-12H,2,6H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide?
N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 373.38 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42686462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).