N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C9H10N6O4 — CID 5296980

IUPACN-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C9H10N6O4/c1-2-10-8(16)9-12-7(13-19-9)5-14-4-6(3-11-14)15(17)18/h3-4H,2,5H2,1H3,(H,10,16)
InChIKeyFDECWOYLUBSGFJ-UHFFFAOYSA-N
MW266.22 g/mol
LogP-0.03
Rot. Bonds5

About N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5296980) has the molecular formula C9H10N6O4 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5296980
Molecular FormulaC9H10N6O4
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC NameN-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C9H10N6O4/c1-2-10-8(16)9-12-7(13-19-9)5-14-4-6(3-11-14)15(17)18/h3-4H,2,5H2,1H3,(H,10,16)
InChIKeyFDECWOYLUBSGFJ-UHFFFAOYSA-N
XLogP-0.03
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5297979
N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5298143
N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5297076
N-[3-(1H-imidazol-1-yl)propyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5296996
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
N-(2-aminoethyl)-3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027143
N-(2-aminoethyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027145
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53618403
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 97832508
N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazol-4-amine
CID 97832516
N-((3-(1-ethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 121195122
1-{[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-pyrazol-4-amine hydrochloride
CID 54595552

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5296980) is N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is FDECWOYLUBSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O4/c1-2-10-8(16)9-12-7(13-19-9)5-14-4-6(3-11-14)15(17)18/h3-4H,2,5H2,1H3,(H,10,16).
What are the key properties of N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 266.22 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5296980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).