N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide

C14H12BrN5O2 — CID 43976308

IUPACN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C14H12BrN5O2/c1-2-20-11(6-7-16-20)12(21)17-14-19-18-13(22-14)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3,(H,17,19,21)
InChIKeyVEJWFUCZJJHDAT-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.97
Rot. Bonds4

About N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 43976308) has the molecular formula C14H12BrN5O2 and a molecular weight of 362.19 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
PubChem CID43976308
Molecular FormulaC14H12BrN5O2
Molecular Weight362.19 g/mol
Exact Mass361.02
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C14H12BrN5O2/c1-2-20-11(6-7-16-20)12(21)17-14-19-18-13(22-14)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3,(H,17,19,21)
InChIKeyVEJWFUCZJJHDAT-UHFFFAOYSA-N
XLogP2.97
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 43977881
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43972807
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
CID 43976114
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide
CID 1225480
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 43976295
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide (CID 43976308) is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is VEJWFUCZJJHDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2/c1-2-20-11(6-7-16-20)12(21)17-14-19-18-13(22-14)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3,(H,17,19,21).
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide?
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 362.19 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 43976308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).