1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine

C12H20N4O2 — CID 66029793

IUPAC1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1CC(N)C1CC1
InChIInChI=1S/C12H20N4O2/c1-3-6-15-11(7-10(13)9-4-5-9)12(16(17)18)8(2)14-15/h9-10H,3-7,13H2,1-2H3
InChIKeyOUQWSAJBQDDYQC-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.79
Rot. Bonds6

About 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine

1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine (PubChem CID 66029793) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine
PubChem CID66029793
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1CC(N)C1CC1
InChIInChI=1S/C12H20N4O2/c1-3-6-15-11(7-10(13)9-4-5-9)12(16(17)18)8(2)14-15/h9-10H,3-7,13H2,1-2H3
InChIKeyOUQWSAJBQDDYQC-UHFFFAOYSA-N
XLogP1.79
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-(2-chloro-3,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazole
CID 66027671
1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66028595
1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine
CID 66012476
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-3-methylbutan-2-amine
CID 66011109
O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine
CID 79427038
5-(2-bromobutyl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66011511
ethyl 3-methyl-4-nitro-1-propylpyrazole-5-carboxylate
CID 71650999
5-(2-chlorobutyl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66013658
3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
CID 113485574
3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine
CID 66029010
5-(3-chlorobutan-2-yl)-3-methyl-4-nitro-1-propylpyrazole
CID 66028056
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976800

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine (CID 66029793) is 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine is CCCn1nc(C)c([N+](=O)[O-])c1CC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine?
The InChIKey is OUQWSAJBQDDYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-6-15-11(7-10(13)9-4-5-9)12(16(17)18)8(2)14-15/h9-10H,3-7,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine?
1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine has a molecular weight of 252.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 66029793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).