1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine

C13H24N6O2 — CID 66013026

IUPAC1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1N(C)CCN1CCNCC1
InChIInChI=1S/C13H24N6O2/c1-4-18-13(12(19(20)21)11(2)15-18)16(3)9-10-17-7-5-14-6-8-17/h14H,4-10H2,1-3H3
InChIKeyCEOCYVQEEUTGEB-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.46
Rot. Bonds6

About 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine

1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine (PubChem CID 66013026) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine
PubChem CID66013026
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1N(C)CCN1CCNCC1
InChIInChI=1S/C13H24N6O2/c1-4-18-13(12(19(20)21)11(2)15-18)16(3)9-10-17-7-5-14-6-8-17/h14H,4-10H2,1-3H3
InChIKeyCEOCYVQEEUTGEB-UHFFFAOYSA-N
XLogP0.46
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
CID 130557665
5-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-methylamino]pentan-1-ol
CID 107203493
N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 66278748
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
CID 62686664
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol
CID 66011281
N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 63266171
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
CID 23005910
N',2,2-trimethyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)propane-1,3-diamine
CID 79659885
3-[ethyl-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]butanoic acid
CID 66012570
1-N-methyl-4-nitro-1-N-(2-piperazin-1-ylethyl)benzene-1,3-diamine
CID 106749826
(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
CID 104892733

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine?
The IUPAC name of 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine (CID 66013026) is 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine?
The canonical SMILES for 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1N(C)CCN1CCNCC1.
What is the InChIKey of 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine?
The InChIKey is CEOCYVQEEUTGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-4-18-13(12(19(20)21)11(2)15-18)16(3)9-10-17-7-5-14-6-8-17/h14H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine?
1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine has a molecular weight of 296.38 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine is sourced from PubChem (CID 66013026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).