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

C22H18F3N5O2 — CID 146123353

IUPAC1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(Cc1nc(-c2ccccc2)no1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C22H18F3N5O2/c1-14(12-18-28-20(29-32-18)15-8-4-2-5-9-15)27-21(31)17-13-26-30(19(17)22(23,24)25)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,27,31)
InChIKeyADALEQZCFZCQHQ-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.30
Rot. Bonds6

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

1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146123353) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146123353
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(Cc1nc(-c2ccccc2)no1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C22H18F3N5O2/c1-14(12-18-28-20(29-32-18)15-8-4-2-5-9-15)27-21(31)17-13-26-30(19(17)22(23,24)25)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,27,31)
InChIKeyADALEQZCFZCQHQ-UHFFFAOYSA-N
XLogP4.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 146123658
1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 129402287
N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55859853
1-(4-chlorophenyl)-N-[(2S,3R)-3-hydroxy-4-phenylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 97238123
(2S)-2-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58718049
(2S)-2-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 58717776
N-(4-methoxybutan-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 71685118
2-(2-phenylethylsulfanyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
CID 71907115
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 42566503
N-[4-chloro-2-methyl-6-(6-methylheptan-2-ylcarbamoyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141361770
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146123353) is 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(Cc1nc(-c2ccccc2)no1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ADALEQZCFZCQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-14(12-18-28-20(29-32-18)15-8-4-2-5-9-15)27-21(31)17-13-26-30(19(17)22(23,24)25)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,27,31).
What are the key properties of 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146123353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).