3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C15H22N6O3 — CID 133440566

IUPAC3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCc1nn(C)c(N2CCN(Cc3cc(C)on3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H22N6O3/c1-4-13-14(21(22)23)15(18(3)16-13)20-7-5-19(6-8-20)10-12-9-11(2)24-17-12/h9H,4-8,10H2,1-3H3
InChIKeyUYEDXBCDGDYTPC-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.51
Rot. Bonds5

About 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 133440566) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID133440566
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCc1nn(C)c(N2CCN(Cc3cc(C)on3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H22N6O3/c1-4-13-14(21(22)23)15(18(3)16-13)20-7-5-19(6-8-20)10-12-9-11(2)24-17-12/h9H,4-8,10H2,1-3H3
InChIKeyUYEDXBCDGDYTPC-UHFFFAOYSA-N
XLogP1.51
TPSA93.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
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

1-[(5-chlorothiophen-2-yl)methyl]-4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazine
CID 133424272
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(2-nitrophenyl)piperazine
CID 133423532
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66016624
2-[4-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperazin-1-yl]acetonitrile
CID 66016672
2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 133440523
3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
CID 133440986
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(1H-pyrazol-5-yl)piperidine
CID 133441340
3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole
CID 66015700
4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 133303018
5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 166600931
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 133440566) is 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is CCc1nn(C)c(N2CCN(Cc3cc(C)on3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is UYEDXBCDGDYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-4-13-14(21(22)23)15(18(3)16-13)20-7-5-19(6-8-20)10-12-9-11(2)24-17-12/h9H,4-8,10H2,1-3H3.
What are the key properties of 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 334.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 133440566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).