N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide

C11H19N5O3 — CID 66018839

IUPACN-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide
SMILESCCCc1nn(C)c(NC(C)C(=O)NC)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O3/c1-5-6-8-9(16(18)19)10(15(4)14-8)13-7(2)11(17)12-3/h7,13H,5-6H2,1-4H3,(H,12,17)
InChIKeyPEVDDXKNZISGFB-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.83
Rot. Bonds6

About N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide

N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide (PubChem CID 66018839) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide
PubChem CID66018839
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC NameN-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide
SMILESCCCc1nn(C)c(NC(C)C(=O)NC)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O3/c1-5-6-8-9(16(18)19)10(15(4)14-8)13-7(2)11(17)12-3/h7,13H,5-6H2,1-4H3,(H,12,17)
InChIKeyPEVDDXKNZISGFB-UHFFFAOYSA-N
XLogP0.83
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.83
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

2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]-N-propylpropanamide
CID 66019999
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66017701
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide
CID 54950283
3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]butanoic acid
CID 66016089
4-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]pentanoic acid
CID 66014875
ethyl 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propanoate
CID 66014588
N-heptan-2-yl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66019032
3-methyl-2-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)butane-1,2-diamine
CID 66019068
1-N,1-N-diethyl-2-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
CID 66019038
N,2-dimethyl-N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,3-diamine
CID 115302974
2-methyl-3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propan-1-ol
CID 66019630
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
CID 66019067

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide?
The IUPAC name of N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide (CID 66018839) is N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide is CCCc1nn(C)c(NC(C)C(=O)NC)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide?
The InChIKey is PEVDDXKNZISGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-5-6-8-9(16(18)19)10(15(4)14-8)13-7(2)11(17)12-3/h7,13H,5-6H2,1-4H3,(H,12,17).
What are the key properties of N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide?
N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide has a molecular weight of 269.30 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide is sourced from PubChem (CID 66018839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).