N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide

C9H15N5O3 — CID 19621086

IUPACN-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCCCN)cc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O3/c1-7-8(14(16)17)5-13(12-7)6-9(15)11-4-2-3-10/h5H,2-4,6,10H2,1H3,(H,11,15)
InChIKeyUCCCWEXGSWIUBB-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.44
Rot. Bonds6

About N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide

N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 19621086) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
PubChem CID19621086
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCCCN)cc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O3/c1-7-8(14(16)17)5-13(12-7)6-9(15)11-4-2-3-10/h5H,2-4,6,10H2,1H3,(H,11,15)
InChIKeyUCCCWEXGSWIUBB-UHFFFAOYSA-N
XLogP-0.44
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522099
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522147
1-[2-(butylamino)-2-oxoethyl]-4-nitropyrazole-3-carboxylic acid
CID 107345751
3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
CID 19539837
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19333218
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
CID 19516434
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522139
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
3-methyl-1-(2-methylprop-2-enyl)-4-nitropyrazole
CID 130657515
ethyl (E)-3-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]but-2-enoate
CID 19522301
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide (CID 19621086) is N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide is Cc1nn(CC(=O)NCCCN)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is UCCCWEXGSWIUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-7-8(14(16)17)5-13(12-7)6-9(15)11-4-2-3-10/h5H,2-4,6,10H2,1H3,(H,11,15).
What are the key properties of N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 241.25 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19621086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).