N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine

C9H15N5O3 — CID 19827723

IUPACN,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C9H15N5O3/c1-12(2)8-7(9(11-10-8)14(15)16)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11)
InChIKeyTZZOIZDWCONZDS-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.22
Rot. Bonds3

About N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine

N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine (PubChem CID 19827723) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine
PubChem CID19827723
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C9H15N5O3/c1-12(2)8-7(9(11-10-8)14(15)16)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11)
InChIKeyTZZOIZDWCONZDS-UHFFFAOYSA-N
XLogP0.22
TPSA87.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.22
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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Related Compounds

4-(1-Methyl-3,5-dinitropyrazol-4-yl)morpholine
CID 3612338
4-(1-Methyl-3,4-dinitropyrazol-5-yl)morpholine
CID 125503848
4-(3,5-dinitro-1H-pyrazol-4-yl)morpholine
CID 125510932
N,1-dimethyl-3-morpholin-4-yl-4-nitropyrazol-5-amine
CID 139214867
N,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine
CID 139214868
4-(4-nitro-1H-pyrazol-5-yl)morpholine
CID 12368179
4-N,4-N-diethyl-3-N,3-N-dimethyl-5-nitro-1H-pyrazole-3,4-diamine
CID 19827661
4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine
CID 19827688
4-(3-methyl-4-nitro-1H-pyrazol-5-yl)morpholine
CID 3089363

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine?
The IUPAC name of N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine (CID 19827723) is N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine?
The canonical SMILES for N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine is CN(C)c1n[nH]c([N+](=O)[O-])c1N1CCOCC1.
What is the InChIKey of N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine?
The InChIKey is TZZOIZDWCONZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-12(2)8-7(9(11-10-8)14(15)16)13-3-5-17-6-4-13/h3-6H2,1-2H3,(H,10,11).
What are the key properties of N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine?
N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine has a molecular weight of 241.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 19827723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).