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

C10H17N5O3 — CID 19521579

IUPACN-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCN(C)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H17N5O3/c1-13(2)6-3-5-11-10(16)8-14-7-4-9(12-14)15(17)18/h4,7H,3,5-6,8H2,1-2H3,(H,11,16)
InChIKeySCHUGFZRJNOROY-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.14
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521579) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521579
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCN(C)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H17N5O3/c1-13(2)6-3-5-11-10(16)8-14-7-4-9(12-14)15(17)18/h4,7H,3,5-6,8H2,1-2H3,(H,11,16)
InChIKeySCHUGFZRJNOROY-UHFFFAOYSA-N
XLogP-0.14
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.14
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

N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 62033038
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115700396
3-hydroxy-3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 66003089
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 47061410
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115771713
N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521589

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 19521579) is N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide is CN(C)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is SCHUGFZRJNOROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-13(2)6-3-5-11-10(16)8-14-7-4-9(12-14)15(17)18/h4,7H,3,5-6,8H2,1-2H3,(H,11,16).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of -0.14, 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-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).