N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide

C20H16F3N3O3 — CID 150929583

IUPACN-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide
SMILESCCn1nc(-c2ccc(C=O)cc2)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O3/c1-2-26-18(11-17(25-26)14-5-3-13(12-27)4-6-14)24-19(28)15-7-9-16(10-8-15)29-20(21,22)23/h3-12H,2H2,1H3,(H,24,28)
InChIKeyLFSXKSWYWNXFTH-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.53
Rot. Bonds6

About N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide

N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 150929583) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide
PubChem CID150929583
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC NameN-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide
SMILESCCn1nc(-c2ccc(C=O)cc2)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O3/c1-2-26-18(11-17(25-26)14-5-3-13(12-27)4-6-14)24-19(28)15-7-9-16(10-8-15)29-20(21,22)23/h3-12H,2H2,1H3,(H,24,28)
InChIKeyLFSXKSWYWNXFTH-UHFFFAOYSA-N
XLogP4.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
2-[[4-[[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]acetic acid
CID 10076914
N-[1-methyl-5-[4-[(E)-prop-1-enyl]phenyl]-1,2,4-triazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 156901622
N-methylethanamine;4-(trifluoromethoxy)benzaldehyde
CID 171100197
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 134014290
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466
ethyl 3-[[4-[[5-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoate
CID 10370142
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 122296789
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide (CID 150929583) is N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide is CCn1nc(-c2ccc(C=O)cc2)cc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is LFSXKSWYWNXFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-2-26-18(11-17(25-26)14-5-3-13(12-27)4-6-14)24-19(28)15-7-9-16(10-8-15)29-20(21,22)23/h3-12H,2H2,1H3,(H,24,28).
What are the key properties of N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 403.36 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(4-formylphenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 150929583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).