N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C24H25N5O2S — CID 155950333

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCc1ccc(-c2nnc(SC(C)C(=O)Nc3c(C)nn(-c4ccccc4)c3C)o2)cc1
InChIInChI=1S/C24H25N5O2S/c1-5-18-11-13-19(14-12-18)23-26-27-24(31-23)32-17(4)22(30)25-21-15(2)28-29(16(21)3)20-9-7-6-8-10-20/h6-14,17H,5H2,1-4H3,(H,25,30)
InChIKeyKEONSHQKQZGWHF-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.22
Rot. Bonds7

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 155950333) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID155950333
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCc1ccc(-c2nnc(SC(C)C(=O)Nc3c(C)nn(-c4ccccc4)c3C)o2)cc1
InChIInChI=1S/C24H25N5O2S/c1-5-18-11-13-19(14-12-18)23-26-27-24(31-23)32-17(4)22(30)25-21-15(2)28-29(16(21)3)20-9-7-6-8-10-20/h6-14,17H,5H2,1-4H3,(H,25,30)
InChIKeyKEONSHQKQZGWHF-UHFFFAOYSA-N
XLogP5.22
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8752448
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide
CID 7794363
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8748466
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112775054
(2S)-N-(4-ethylphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417155
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
(2R)-N-(4-ethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7682862
2-butylsulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 134037906
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2464684
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575388
(2R)-N-(2,6-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8552931
(2R)-1-(4-ethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7816494

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 155950333) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CCc1ccc(-c2nnc(SC(C)C(=O)Nc3c(C)nn(-c4ccccc4)c3C)o2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is KEONSHQKQZGWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-5-18-11-13-19(14-12-18)23-26-27-24(31-23)32-17(4)22(30)25-21-15(2)28-29(16(21)3)20-9-7-6-8-10-20/h6-14,17H,5H2,1-4H3,(H,25,30).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 447.56 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 155950333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).