N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide

C11H19N5O3 — CID 19528820

IUPACN-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C(=O)NCCCN(C)C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H19N5O3/c1-9(11(17)12-5-4-6-14(2)3)15-8-10(7-13-15)16(18)19/h7-9H,4-6H2,1-3H3,(H,12,17)
InChIKeyMWAKLTFLOGSDOF-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.42
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide

N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 19528820) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID19528820
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C(=O)NCCCN(C)C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H19N5O3/c1-9(11(17)12-5-4-6-14(2)3)15-8-10(7-13-15)16(18)19/h7-9H,4-6H2,1-3H3,(H,12,17)
InChIKeyMWAKLTFLOGSDOF-UHFFFAOYSA-N
XLogP0.42
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
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

2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19528811
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551809
N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
CID 19528821
(2R)-N-[(2-methylphenyl)methyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 97340692
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 4918403
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19528793
1-[1-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19471051
4-[[(2S)-2-(4-nitropyrazol-1-yl)propanoyl]amino]benzamide
CID 831802
N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 75517792
(2R)-2-(4-nitropyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 95989737
(2R)-N-(6-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7304876

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide (CID 19528820) is N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide is CC(C(=O)NCCCN(C)C)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is MWAKLTFLOGSDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-9(11(17)12-5-4-6-14(2)3)15-8-10(7-13-15)16(18)19/h7-9H,4-6H2,1-3H3,(H,12,17).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide?
N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 269.31 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19528820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).