2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide

C9H15N5O3 — CID 54950283

IUPAC2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C9H15N5O3/c1-5-7(14(16)17)8(13(4)12-5)11-6(2)9(15)10-3/h6,11H,1-4H3,(H,10,15)
InChIKeyOGMQPOVUIGUJQK-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.18
Rot. Bonds4

About 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide

2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide (PubChem CID 54950283) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide
PubChem CID54950283
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C9H15N5O3/c1-5-7(14(16)17)8(13(4)12-5)11-6(2)9(15)10-3/h6,11H,1-4H3,(H,10,15)
InChIKeyOGMQPOVUIGUJQK-UHFFFAOYSA-N
XLogP0.18
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide
CID 66018839
1-N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,1-diamine
CID 139771367
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide
CID 106346089
N-but-3-yn-2-yl-1,3-dimethyl-4-nitropyrazol-5-amine
CID 114382971
N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide
CID 66012011
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 78961641
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutan-2-ol
CID 115644085
N-heptan-2-yl-1,3-dimethyl-4-nitropyrazol-5-amine
CID 54950632
N-(1-methoxy-3-methylbutan-2-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
CID 65047948
(2R)-N-[2-(diethylamino)ethyl]-2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]butanamide
CID 95772412
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]-N-propylpropanamide
CID 66019999

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide (CID 54950283) is 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1c([N+](=O)[O-])c(C)nn1C.
What is the InChIKey of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide?
The InChIKey is OGMQPOVUIGUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-5-7(14(16)17)8(13(4)12-5)11-6(2)9(15)10-3/h6,11H,1-4H3,(H,10,15).
What are the key properties of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide?
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide has a molecular weight of 241.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 54950283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).