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

C13H24N4O2 — CID 66029159

IUPACN-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCC(C)C(C)C
InChIInChI=1S/C13H24N4O2/c1-6-7-16-13(14-8-10(4)9(2)3)12(17(18)19)11(5)15-16/h9-10,14H,6-8H2,1-5H3
InChIKeyHNKMODXHIASGNG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.21
Rot. Bonds7

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

N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine (PubChem CID 66029159) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
PubChem CID66029159
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCC(C)C(C)C
InChIInChI=1S/C13H24N4O2/c1-6-7-16-13(14-8-10(4)9(2)3)12(17(18)19)11(5)15-16/h9-10,14H,6-8H2,1-5H3
InChIKeyHNKMODXHIASGNG-UHFFFAOYSA-N
XLogP3.21
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.21
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 N-(2,3-dimethylbutyl)-3-methyl-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

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
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
N-(2-ethylhexyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 107816609
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-[(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
3-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitro-1-propylpyrazol-5-amine
CID 66027804
3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66028385
3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine
CID 66027020

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine (CID 66029159) is N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine is CCCn1nc(C)c([N+](=O)[O-])c1NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine?
The InChIKey is HNKMODXHIASGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-7-16-13(14-8-10(4)9(2)3)12(17(18)19)11(5)15-16/h9-10,14H,6-8H2,1-5H3.
What are the key properties of N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine?
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine has a molecular weight of 268.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine is sourced from PubChem (CID 66029159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).