3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide

C10H16N4O3 — CID 19557948

IUPAC3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C10H16N4O3/c1-4-11-9(15)5-6-13-8(3)10(14(16)17)7(2)12-13/h4-6H2,1-3H3,(H,11,15)
InChIKeyBVTCKVDJVGEYFN-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.93
Rot. Bonds5

About 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide (PubChem CID 19557948) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
PubChem CID19557948
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C10H16N4O3/c1-4-11-9(15)5-6-13-8(3)10(14(16)17)7(2)12-13/h4-6H2,1-3H3,(H,11,15)
InChIKeyBVTCKVDJVGEYFN-UHFFFAOYSA-N
XLogP0.93
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.93
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-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19557901
2-[2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242165
6-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]hexanoic acid
CID 119220044
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484049
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19557805
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557958
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557935
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19296758
[2-(ethylamino)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 4783410
N-(2-amino-2-phenylethyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 119529652
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-hydroxyphenyl)propyl]propanamide
CID 56792528

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide (CID 19557948) is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide?
The InChIKey is BVTCKVDJVGEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-11-9(15)5-6-13-8(3)10(14(16)17)7(2)12-13/h4-6H2,1-3H3,(H,11,15).
What are the key properties of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide?
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide has a molecular weight of 240.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 19557948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).