4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide

C10H12BrN5O2 — CID 136538136

IUPAC4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(C)Cc2ncon2)c1Br
InChIInChI=1S/C10H12BrN5O2/c1-3-6-8(11)9(14-13-6)10(17)16(2)4-7-12-5-18-15-7/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyJXQBKDGKRPIVRZ-UHFFFAOYSA-N
MW314.14 g/mol
LogP1.39
Rot. Bonds4

About 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide

4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 136538136) has the molecular formula C10H12BrN5O2 and a molecular weight of 314.14 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID136538136
Molecular FormulaC10H12BrN5O2
Molecular Weight314.14 g/mol
Exact Mass313.02
IUPAC Name4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(C)Cc2ncon2)c1Br
InChIInChI=1S/C10H12BrN5O2/c1-3-6-8(11)9(14-13-6)10(17)16(2)4-7-12-5-18-15-7/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyJXQBKDGKRPIVRZ-UHFFFAOYSA-N
XLogP1.39
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 136538136) is 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(C)Cc2ncon2)c1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JXQBKDGKRPIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O2/c1-3-6-8(11)9(14-13-6)10(17)16(2)4-7-12-5-18-15-7/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide?
4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 314.14 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136538136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).