2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine

C13H23N5O2 — CID 66016624

IUPAC2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
SMILESCCc1nn(C)c(N2CCC(CCN)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O2/c1-3-11-12(18(19)20)13(16(2)15-11)17-8-5-10(4-7-14)6-9-17/h10H,3-9,14H2,1-2H3
InChIKeyGYRXSTPXNNOBNJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine

2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine (PubChem CID 66016624) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
PubChem CID66016624
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
SMILESCCc1nn(C)c(N2CCC(CCN)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O2/c1-3-11-12(18(19)20)13(16(2)15-11)17-8-5-10(4-7-14)6-9-17/h10H,3-9,14H2,1-2H3
InChIKeyGYRXSTPXNNOBNJ-UHFFFAOYSA-N
XLogP1.46
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.46
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'}

Analyze 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341
3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
CID 133440986
[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 133441149
2-[1-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66029689
(4-chlorophenyl)-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]methanol
CID 133441485
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(1H-pyrazol-5-yl)piperidine
CID 133441340
3-cyclopropyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66015652
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776507
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-yl]acetic acid
CID 66015149
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(2-nitrophenyl)piperazine
CID 133423532
3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66013850
3-[[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 133440566

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine (CID 66016624) is 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine is CCc1nn(C)c(N2CCC(CCN)CC2)c1[N+](=O)[O-].
What is the InChIKey of 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine?
The InChIKey is GYRXSTPXNNOBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-11-12(18(19)20)13(16(2)15-11)17-8-5-10(4-7-14)6-9-17/h10H,3-9,14H2,1-2H3.
What are the key properties of 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine?
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 66016624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).