3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide

C10H16N4O3 — CID 19539837

IUPAC3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H16N4O3/c1-3-5-11-10(15)4-6-13-7-9(14(16)17)8(2)12-13/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyRXOAGOPFAPZLAA-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.02
Rot. Bonds6

About 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide

3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide (PubChem CID 19539837) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
PubChem CID19539837
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H16N4O3/c1-3-5-11-10(15)4-6-13-7-9(14(16)17)8(2)12-13/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyRXOAGOPFAPZLAA-UHFFFAOYSA-N
XLogP1.02
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.02
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

3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283158
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19331359
N-hexyl-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522099
N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19294610
N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539729
1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396291
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19621086
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide (CID 19539837) is 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide is CCCNC(=O)CCn1cc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide?
The InChIKey is RXOAGOPFAPZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-5-11-10(15)4-6-13-7-9(14(16)17)8(2)12-13/h7H,3-6H2,1-2H3,(H,11,15).
What are the key properties of 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide?
3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide has a molecular weight of 240.26 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 19539837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).