3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine

C11H20N4O2 — CID 66013105

IUPAC3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCC(C)C
InChIInChI=1S/C11H20N4O2/c1-5-6-14-11(12-7-8(2)3)10(15(16)17)9(4)13-14/h8,12H,5-7H2,1-4H3
InChIKeyARDDLPWEMCAEPJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.58
Rot. Bonds6

About 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine

3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine (PubChem CID 66013105) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
PubChem CID66013105
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCC(C)C
InChIInChI=1S/C11H20N4O2/c1-5-6-14-11(12-7-8(2)3)10(15(16)17)9(4)13-14/h8,12H,5-7H2,1-4H3
InChIKeyARDDLPWEMCAEPJ-UHFFFAOYSA-N
XLogP2.58
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.58
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'}

Analyze 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-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

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
N-(2-ethylhexyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 107816609
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66028978
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropanoic acid
CID 66012374
N-benzyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013296
N-ethyl-2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 106338169
3-methyl-4-nitro-1-propyl-N-(2-pyrrolidin-1-ylethyl)pyrazol-5-amine
CID 66027801
3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66028385
3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66027788
2-N-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hexane-1,2-diamine
CID 80704442

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine (CID 66013105) is 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine is CCCn1nc(C)c([N+](=O)[O-])c1NCC(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine?
The InChIKey is ARDDLPWEMCAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-6-14-11(12-7-8(2)3)10(15(16)17)9(4)13-14/h8,12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine?
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine has a molecular weight of 240.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine is sourced from PubChem (CID 66013105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).