3-(3-nitropyrazol-1-yl)-N-propylpropanamide

C9H14N4O3 — CID 4774598

IUPAC3-(3-nitropyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C9H14N4O3/c1-2-5-10-9(14)4-7-12-6-3-8(11-12)13(15)16/h3,6H,2,4-5,7H2,1H3,(H,10,14)
InChIKeyRAZAXTDCVPPUPG-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.71
Rot. Bonds6

About 3-(3-nitropyrazol-1-yl)-N-propylpropanamide

3-(3-nitropyrazol-1-yl)-N-propylpropanamide (PubChem CID 4774598) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(3-nitropyrazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-nitropyrazol-1-yl)-N-propylpropanamide
PubChem CID4774598
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-(3-nitropyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C9H14N4O3/c1-2-5-10-9(14)4-7-12-6-3-8(11-12)13(15)16/h3,6H,2,4-5,7H2,1H3,(H,10,14)
InChIKeyRAZAXTDCVPPUPG-UHFFFAOYSA-N
XLogP0.71
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 40176586
N-cycloheptyl-3-(3-nitropyrazol-1-yl)propanamide
CID 844001
1-Acetohydroxamic acid-3-nitropyrazole
CID 146775
[[2-(3-Nitropyrazol-1-yl)acetyl]amino] propanoate
CID 383763
3-(3-amino-1H-pyrazol-1-yl)propanamide
CID 54594234
N-methyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 176349359
2-(3-Nitropyrazolyl)-1-pyrrolidinylethan-1-one
CID 1508283
N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 87024919
N-(3-amino-2,2-difluoropropyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120410971
N-(3-amino-2,2-difluoropropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 120410972
2-(3-nitropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813309
2-(3-nitro-1H-pyrazol-1-yl)-N-(propan-2-yl)acetamide
CID 1258992

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitropyrazol-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(3-nitropyrazol-1-yl)-N-propylpropanamide (CID 4774598) is 3-(3-nitropyrazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-nitropyrazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3-nitropyrazol-1-yl)-N-propylpropanamide is CCCNC(=O)CCn1ccc([N+](=O)[O-])n1.
What is the InChIKey of 3-(3-nitropyrazol-1-yl)-N-propylpropanamide?
The InChIKey is RAZAXTDCVPPUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-5-10-9(14)4-7-12-6-3-8(11-12)13(15)16/h3,6H,2,4-5,7H2,1H3,(H,10,14).
What are the key properties of 3-(3-nitropyrazol-1-yl)-N-propylpropanamide?
3-(3-nitropyrazol-1-yl)-N-propylpropanamide has a molecular weight of 226.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitropyrazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 4774598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).