5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C17H16F3N5O2 — CID 146123658

IUPAC5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)NC(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16F3N5O2/c1-9(8-12-22-15(25-27-12)11-6-4-3-5-7-11)21-16(26)13-10(2)23-24-14(13)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyGHEOYGDGVKDZNW-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.15
Rot. Bonds5

About 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide

5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 146123658) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID146123658
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)NC(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16F3N5O2/c1-9(8-12-22-15(25-27-12)11-6-4-3-5-7-11)21-16(26)13-10(2)23-24-14(13)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyGHEOYGDGVKDZNW-UHFFFAOYSA-N
XLogP3.15
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide 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

1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146123353
2-(2-phenylethylsulfanyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
CID 71907115
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41091001
4-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]butanamide
CID 71907117
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
N-[(2R)-1-[benzyl(methyl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl](18F)benzamide
CID 163321921
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
3,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110322596
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 146123658) is 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C(F)(F)F)c1C(=O)NC(C)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GHEOYGDGVKDZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-9(8-12-22-15(25-27-12)11-6-4-3-5-7-11)21-16(26)13-10(2)23-24-14(13)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 146123658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).