N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride

C13H17ClN6O3 — CID 119516558

IUPACN-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride
SMILESCc1nn(CCC(=O)Nc2ccc(N)nc2)c(C)c1[N+](=O)[O-].Cl
InChIInChI=1S/C13H16N6O3.ClH/c1-8-13(19(21)22)9(2)18(17-8)6-5-12(20)16-10-3-4-11(14)15-7-10;/h3-4,7H,5-6H2,1-2H3,(H2,14,15)(H,16,20);1H
InChIKeyMWDZTDVCQXZAFE-UHFFFAOYSA-N
MW340.77 g/mol
LogP1.84
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride (PubChem CID 119516558) has the molecular formula C13H17ClN6O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride
PubChem CID119516558
Molecular FormulaC13H17ClN6O3
Molecular Weight340.77 g/mol
Exact Mass340.11
IUPAC NameN-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride
SMILESCc1nn(CCC(=O)Nc2ccc(N)nc2)c(C)c1[N+](=O)[O-].Cl
InChIInChI=1S/C13H16N6O3.ClH/c1-8-13(19(21)22)9(2)18(17-8)6-5-12(20)16-10-3-4-11(14)15-7-10;/h3-4,7H,5-6H2,1-2H3,(H2,14,15)(H,16,20);1H
InChIKeyMWDZTDVCQXZAFE-UHFFFAOYSA-N
XLogP1.84
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-methylpyrimidin-2-yl)propanamide
CID 154755562
4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-ethylphenyl)butanamide
CID 4988275
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19557792
N-(6-amino-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119515818
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19557798
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]propanamide
CID 19557809
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
CID 19557948
N-(5-chloro-2-methylphenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557685
N-(4-chloro-2-hydroxyphenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 167904761
N-[4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19515848
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557758
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride (CID 119516558) is N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride is Cc1nn(CCC(=O)Nc2ccc(N)nc2)c(C)c1[N+](=O)[O-].Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride?
The InChIKey is MWDZTDVCQXZAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3.ClH/c1-8-13(19(21)22)9(2)18(17-8)6-5-12(20)16-10-3-4-11(14)15-7-10;/h3-4,7H,5-6H2,1-2H3,(H2,14,15)(H,16,20);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride has a molecular weight of 340.77 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119516558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).