1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine

C11H19N5O2 — CID 103079772

IUPAC1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine
SMILESCCN1CCCC(Nc2nn(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H19N5O2/c1-3-15-6-4-5-9(7-15)12-11-10(16(17)18)8-14(2)13-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyKKJVOWKGMZSZPA-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.22
Rot. Bonds4

About 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine

1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine (PubChem CID 103079772) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine
PubChem CID103079772
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine
SMILESCCN1CCCC(Nc2nn(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H19N5O2/c1-3-15-6-4-5-9(7-15)12-11-10(16(17)18)8-14(2)13-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyKKJVOWKGMZSZPA-UHFFFAOYSA-N
XLogP1.22
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine
CID 103079684
1-methyl-4-nitro-N-(oxan-4-yl)pyrazol-3-amine
CID 103079711
ethyl 4-[(1-methyl-4-nitropyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103079671
2-[(1-ethylpiperidin-3-yl)amino]-3-nitropyridine-4-carbonitrile
CID 80719136
4-[(1-ethylpiperidin-3-yl)amino]-3-nitrobenzoic acid
CID 61478265
4-[[(3S)-1-ethylpiperidin-3-yl]amino]-3-nitrobenzenesulfonamide
CID 136585433
N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
CID 126821677
N-(3-ethyl-2-methylcyclopentyl)-1-methyl-4-nitropyrazol-3-amine
CID 103079965
2-[(1-ethylpiperidin-3-yl)amino]-5-nitrobenzonitrile
CID 61171760
1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine
CID 61169013
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine?
The IUPAC name of 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine (CID 103079772) is 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine is CCN1CCCC(Nc2nn(C)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine?
The InChIKey is KKJVOWKGMZSZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-15-6-4-5-9(7-15)12-11-10(16(17)18)8-14(2)13-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine?
1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine has a molecular weight of 253.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine is sourced from PubChem (CID 103079772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).