3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine

C11H18N4O3 — CID 66029010

IUPAC3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1OC1CC(N)C1
InChIInChI=1S/C11H18N4O3/c1-3-4-14-11(18-9-5-8(12)6-9)10(15(16)17)7(2)13-14/h8-9H,3-6,12H2,1-2H3
InChIKeyVAOAFELJSCJCBP-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.38
Rot. Bonds5

About 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine

3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine (PubChem CID 66029010) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine
PubChem CID66029010
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1OC1CC(N)C1
InChIInChI=1S/C11H18N4O3/c1-3-4-14-11(18-9-5-8(12)6-9)10(15(16)17)7(2)13-14/h8-9H,3-6,12H2,1-2H3
InChIKeyVAOAFELJSCJCBP-UHFFFAOYSA-N
XLogP1.38
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.38
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'}

Analyze 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine
CID 79427038
3-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxycyclohexan-1-amine
CID 79465434
ethyl 3-methyl-4-nitro-1-propylpyrazole-5-carboxylate
CID 71650999
4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
CID 66028601
2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine
CID 102635252
N-[2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyethyl]propan-2-amine
CID 66027077
[4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenyl]methanol
CID 79870004
N-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyaniline
CID 66029957
N-methyl-1-[3-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxycyclobutyl]methanamine
CID 66020059
1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine
CID 66029793
2-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
CID 66028409
3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxy-N-propan-2-ylpropan-1-amine
CID 66027269

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine?
The IUPAC name of 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine (CID 66029010) is 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine.
What is the SMILES notation for 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine?
The canonical SMILES for 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine is CCCn1nc(C)c([N+](=O)[O-])c1OC1CC(N)C1.
What is the InChIKey of 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine?
The InChIKey is VAOAFELJSCJCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-4-14-11(18-9-5-8(12)6-9)10(15(16)17)7(2)13-14/h8-9H,3-6,12H2,1-2H3.
What are the key properties of 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine?
3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine has a molecular weight of 254.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine is sourced from PubChem (CID 66029010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).