N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine

C15H28N4O2 — CID 66029595

IUPACN-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1C(C(C)C)C(C)NCC
InChIInChI=1S/C15H28N4O2/c1-7-9-18-15(14(19(20)21)12(6)17-18)13(10(3)4)11(5)16-8-2/h10-11,13,16H,7-9H2,1-6H3
InChIKeyRDWQHDQJTXMPOT-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.25
Rot. Bonds8

About N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine

N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine (PubChem CID 66029595) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine
PubChem CID66029595
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1C(C(C)C)C(C)NCC
InChIInChI=1S/C15H28N4O2/c1-7-9-18-15(14(19(20)21)12(6)17-18)13(10(3)4)11(5)16-8-2/h10-11,13,16H,7-9H2,1-6H3
InChIKeyRDWQHDQJTXMPOT-UHFFFAOYSA-N
XLogP3.25
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.25
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

3-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-ethyl-4-methylpentan-2-amine
CID 63198351
5-(3-chlorobutan-2-yl)-3-methyl-4-nitro-1-propylpyrazole
CID 66028056
5-(2-chloro-4-methylpentan-3-yl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66012872
5-(2-bromo-4-methylpentan-3-yl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66012873
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029159
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitro-1-propylpyrazol-5-amine
CID 102914171
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
CID 66013105
3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
CID 113485574
N-[2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyethyl]propan-2-amine
CID 66027077
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxy-N-propan-2-ylpropan-1-amine
CID 66027269
O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine
CID 79427038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine (CID 66029595) is N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine is CCCn1nc(C)c([N+](=O)[O-])c1C(C(C)C)C(C)NCC.
What is the InChIKey of N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine?
The InChIKey is RDWQHDQJTXMPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-7-9-18-15(14(19(20)21)12(6)17-18)13(10(3)4)11(5)16-8-2/h10-11,13,16H,7-9H2,1-6H3.
What are the key properties of N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine?
N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine has a molecular weight of 296.41 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)pentan-2-amine is sourced from PubChem (CID 66029595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).