N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C20H24BrN5O2 — CID 56536259

IUPACN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1nn(C)c(NC(=O)CCCc2nc(C(C)C)no2)c1-c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN5O2/c1-12(2)19-23-17(28-25-19)7-5-6-16(27)22-20-18(13(3)24-26(20)4)14-8-10-15(21)11-9-14/h8-12H,5-7H2,1-4H3,(H,22,27)
InChIKeyWUNJUAVWZOEVKC-UHFFFAOYSA-N
MW446.35 g/mol
LogP4.63
Rot. Bonds7

About N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 56536259) has the molecular formula C20H24BrN5O2 and a molecular weight of 446.35 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID56536259
Molecular FormulaC20H24BrN5O2
Molecular Weight446.35 g/mol
Exact Mass445.11
IUPAC NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1nn(C)c(NC(=O)CCCc2nc(C(C)C)no2)c1-c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN5O2/c1-12(2)19-23-17(28-25-19)7-5-6-16(27)22-20-18(13(3)24-26(20)4)14-8-10-15(21)11-9-14/h8-12H,5-7H2,1-4H3,(H,22,27)
InChIKeyWUNJUAVWZOEVKC-UHFFFAOYSA-N
XLogP4.63
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 56573655
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide
CID 56535902
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide
CID 56573627
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 56536076
N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 56504264
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide
CID 56573561
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 47255836
2-(4-aminophenyl)-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]acetamide;hydrochloride
CID 86813996
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55664148
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
CID 56536116
4-[(1,3-dimethyl-4-phenylpyrazol-5-yl)amino]-4-oxobutanoic acid
CID 134712423

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 56536259) is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is Cc1nn(C)c(NC(=O)CCCc2nc(C(C)C)no2)c1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is WUNJUAVWZOEVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2/c1-12(2)19-23-17(28-25-19)7-5-6-16(27)22-20-18(13(3)24-26(20)4)14-8-10-15(21)11-9-14/h8-12H,5-7H2,1-4H3,(H,22,27).
What are the key properties of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 446.35 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 56536259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).