N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride

C10H18ClN5O3 — CID 119583121

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1.Cl
InChIInChI=1S/C10H17N5O3.ClH/c1-8(5-11)13(2)10(16)3-4-14-7-9(6-12-14)15(17)18;/h6-8H,3-5,11H2,1-2H3;1H
InChIKeyWCRYXEBTKKDLOT-UHFFFAOYSA-N
MW291.74 g/mol
LogP0.41
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride (PubChem CID 119583121) has the molecular formula C10H18ClN5O3 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
PubChem CID119583121
Molecular FormulaC10H18ClN5O3
Molecular Weight291.74 g/mol
Exact Mass291.11
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1.Cl
InChIInChI=1S/C10H17N5O3.ClH/c1-8(5-11)13(2)10(16)3-4-14-7-9(6-12-14)15(17)18;/h6-8H,3-5,11H2,1-2H3;1H
InChIKeyWCRYXEBTKKDLOT-UHFFFAOYSA-N
XLogP0.41
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 50.41
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride (CID 119583121) is N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride is CC(CN)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride?
The InChIKey is WCRYXEBTKKDLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3.ClH/c1-8(5-11)13(2)10(16)3-4-14-7-9(6-12-14)15(17)18;/h6-8H,3-5,11H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119583121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).