[4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine

C9H15N5O3 — CID 67438025

IUPAC[4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine
SMILESCn1ncc([N+](=O)[O-])c1N1CCOC(CN)C1
InChIInChI=1S/C9H15N5O3/c1-12-9(8(5-11-12)14(15)16)13-2-3-17-7(4-10)6-13/h5,7H,2-4,6,10H2,1H3
InChIKeyKQOLIGXRBMCWGY-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.51
Rot. Bonds3

About [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine

[4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine (PubChem CID 67438025) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine
PubChem CID67438025
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name[4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine
SMILESCn1ncc([N+](=O)[O-])c1N1CCOC(CN)C1
InChIInChI=1S/C9H15N5O3/c1-12-9(8(5-11-12)14(15)16)13-2-3-17-7(4-10)6-13/h5,7H,2-4,6,10H2,1H3
InChIKeyKQOLIGXRBMCWGY-UHFFFAOYSA-N
XLogP-0.51
TPSA99.45 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 ≤ 5-0.51
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-(2-Methoxyethyl)-4-nitropyrazol-5-amine
CID 162716457
3,3-difluoro-1-(4-nitro-1-(2-((trimethylsilyl)methoxy)ethyl)-1H-pyrazol-5-yl)piperidine
CID 66851465
1-(1-(2,2-difluoroethyl)-4-nitro-1H-pyrazol-5-yl)-1,4-diazepan-6-ol
CID 86679986
(+/-)-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-3-(trifluoromethyl)piperazine
CID 86680080
2-[5-(3,3-Difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethoxymethyl-trimethyl-lambda4-sulfane
CID 131983098
3-Methyl-1-[4-nitro-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]piperazine
CID 141363084
4-(1-Methyl-4-nitropyrazol-5-yl)morpholine
CID 3598758
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,1-dimethyl-5-morpholin-4-yl-4-nitropyrazol-3-amine
CID 139214868
1-methyl-4-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine
CID 103079928
N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-4-nitropyrazol-3-amine
CID 105912975

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine (CID 67438025) is [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine is Cn1ncc([N+](=O)[O-])c1N1CCOC(CN)C1.
What is the InChIKey of [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine?
The InChIKey is KQOLIGXRBMCWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-12-9(8(5-11-12)14(15)16)13-2-3-17-7(4-10)6-13/h5,7H,2-4,6,10H2,1H3.
What are the key properties of [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine?
[4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine has a molecular weight of 241.25 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-4-nitropyrazol-5-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 67438025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).