N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine

C9H15N5O3 — CID 139214868

IUPACN,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine
SMILESCNc1nn(C)c(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O3/c1-10-8-7(14(15)16)9(12(2)11-8)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11)
InChIKeyCDCDPFPGDVCJRG-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.21
Rot. Bonds3

About N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine

N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine (PubChem CID 139214868) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine
PubChem CID139214868
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine
SMILESCNc1nn(C)c(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O3/c1-10-8-7(14(15)16)9(12(2)11-8)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11)
InChIKeyCDCDPFPGDVCJRG-UHFFFAOYSA-N
XLogP0.21
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
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

1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-5-amine
CID 2809620
4-(2,5-Dimethyl-4-nitro-pyrazol-3-yl)morpholine
CID 2807338
4-(1-Methyl-4-nitropyrazol-5-yl)morpholine
CID 3598758
4-(1-Methyl-3,5-dinitropyrazol-4-yl)morpholine
CID 3612338
4-(1-Methyl-3,4-dinitropyrazol-5-yl)morpholine
CID 125503848
N,1-dimethyl-3-morpholin-4-yl-4-nitropyrazol-5-amine
CID 139214867
N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine
CID 19827723
3-bromo-N-ethyl-1-(3-methoxypropyl)-4-nitropyrazol-5-amine
CID 59127778
[4-(1-Methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine
CID 67438025
3-Bromo-1-(2'-methoxyethyl)-5-methylamino4-nitropyrazole
CID 69435629
CID 89105909
CID 89105909
4-(1-Methyl-4-nitro-1H-pyrazol-3-YL)morpholine
CID 134450370

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine?
The IUPAC name of N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine (CID 139214868) is N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine.
What is the SMILES notation for N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine?
The canonical SMILES for N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine is CNc1nn(C)c(N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine?
The InChIKey is CDCDPFPGDVCJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-10-8-7(14(15)16)9(12(2)11-8)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11).
What are the key properties of N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine?
N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine has a molecular weight of 241.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine is sourced from PubChem (CID 139214868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).