[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine

C11H19N5O2 — CID 103442244

IUPAC[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine
SMILESCC1CCN(c2nn(C)cc2[N+](=O)[O-])C(CN)C1
InChIInChI=1S/C11H19N5O2/c1-8-3-4-15(9(5-8)6-12)11-10(16(17)18)7-14(2)13-11/h7-9H,3-6,12H2,1-2H3
InChIKeyRWMZBDWZBKEFKK-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.89
Rot. Bonds3

About [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine

[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine (PubChem CID 103442244) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine
PubChem CID103442244
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine
SMILESCC1CCN(c2nn(C)cc2[N+](=O)[O-])C(CN)C1
InChIInChI=1S/C11H19N5O2/c1-8-3-4-15(9(5-8)6-12)11-10(16(17)18)7-14(2)13-11/h7-9H,3-6,12H2,1-2H3
InChIKeyRWMZBDWZBKEFKK-UHFFFAOYSA-N
XLogP0.89
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.89
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

[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
CID 103080353
[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine
CID 103442387
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
[4-methyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103442230
[4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine
CID 103442256
3-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-nitrobenzamide
CID 103442356
[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
CID 103441931
(4-methyl-1-pyrimidin-2-ylpiperidin-2-yl)methanamine
CID 103442373
3-(1-methyl-4-nitropyrazol-3-yl)-1,3-oxazolidine-2-carbaldehyde
CID 174813565
ethyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-2-carboxylate
CID 103080502
8-(1-methyl-4-nitropyrazol-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103080219
2-[4-(1-methyl-4-nitropyrazol-3-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 103079385

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine (CID 103442244) is [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine is CC1CCN(c2nn(C)cc2[N+](=O)[O-])C(CN)C1.
What is the InChIKey of [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine?
The InChIKey is RWMZBDWZBKEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-3-4-15(9(5-8)6-12)11-10(16(17)18)7-14(2)13-11/h7-9H,3-6,12H2,1-2H3.
What are the key properties of [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine?
[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103442244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).