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

C8H12N4O3 — CID 19539994

IUPACN-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCNC(=O)CCn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C8H12N4O3/c1-6-7(12(14)15)5-11(10-6)4-3-8(13)9-2/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyGAVBAIKOBGFCGH-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.24
Rot. Bonds4

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

N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19539994) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19539994
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC NameN-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCNC(=O)CCn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C8H12N4O3/c1-6-7(12(14)15)5-11(10-6)4-3-8(13)9-2/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyGAVBAIKOBGFCGH-UHFFFAOYSA-N
XLogP0.24
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.24
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
3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
CID 19539837
N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539729
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283158
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19331359
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539774
N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19294610
3-(3-methyl-4-nitropyrazol-1-yl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19539860
3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
CID 7018447

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19539994) is N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is CNC(=O)CCn1cc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is GAVBAIKOBGFCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-6-7(12(14)15)5-11(10-6)4-3-8(13)9-2/h5H,3-4H2,1-2H3,(H,9,13).
What are the key properties of N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 212.21 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19539994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).