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

C15H18ClN7O3 — CID 19552411

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nn(CCc2nnc(CCn3nc([N+](=O)[O-])cc3C)o2)c(C)c1Cl
InChIInChI=1S/C15H18ClN7O3/c1-9-8-12(23(24)25)20-21(9)6-4-13-17-18-14(26-13)5-7-22-11(3)15(16)10(2)19-22/h8H,4-7H2,1-3H3
InChIKeyWMVXPIDIXHWNCI-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.43
Rot. Bonds7

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

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 19552411) has the molecular formula C15H18ClN7O3 and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID19552411
Molecular FormulaC15H18ClN7O3
Molecular Weight379.81 g/mol
Exact Mass379.12
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nn(CCc2nnc(CCn3nc([N+](=O)[O-])cc3C)o2)c(C)c1Cl
InChIInChI=1S/C15H18ClN7O3/c1-9-8-12(23(24)25)20-21(9)6-4-13-17-18-14(26-13)5-7-22-11(3)15(16)10(2)19-22/h8H,4-7H2,1-3H3
InChIKeyWMVXPIDIXHWNCI-UHFFFAOYSA-N
XLogP2.43
TPSA117.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

2-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552412
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542346
2-(1-adamantyl)-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552408
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521341
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568316
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(3-nitropyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 19550634
1-(chloromethyl)-5-methyl-3-nitropyrazole
CID 7172341
2-(4-bromo-1-ethylpyrazol-5-yl)-5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19540531
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole
CID 19552430
2-(1-adamantyl)-5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552446
1-[(2,3-dichlorophenyl)methyl]-5-methyl-3-nitropyrazole
CID 17386070
4-chloro-1-[(4-chloro-3-nitrophenyl)methyl]-3,5-dimethylpyrazole
CID 55039076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole (CID 19552411) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole is Cc1nn(CCc2nnc(CCn3nc([N+](=O)[O-])cc3C)o2)c(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is WMVXPIDIXHWNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7O3/c1-9-8-12(23(24)25)20-21(9)6-4-13-17-18-14(26-13)5-7-22-11(3)15(16)10(2)19-22/h8H,4-7H2,1-3H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 379.81 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).