2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine

C7H12N4O2 — CID 130545255

IUPAC2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine
SMILESCn1cc([N+](=O)[O-])c(C(C)(C)N)n1
InChIInChI=1S/C7H12N4O2/c1-7(2,8)6-5(11(12)13)4-10(3)9-6/h4H,8H2,1-3H3
InChIKeyOIGPTHDCSIYCBZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.52
Rot. Bonds2

About 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine

2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine (PubChem CID 130545255) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine
PubChem CID130545255
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine
SMILESCn1cc([N+](=O)[O-])c(C(C)(C)N)n1
InChIInChI=1S/C7H12N4O2/c1-7(2,8)6-5(11(12)13)4-10(3)9-6/h4H,8H2,1-3H3
InChIKeyOIGPTHDCSIYCBZ-UHFFFAOYSA-N
XLogP0.52
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.52
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 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-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

1-methyl-4-nitro-3-nitrosopyrazole
CID 130375922
ethane;1-methyl-4-nitropyrazole-3-carboxamide
CID 145224461
1-methyl-4-nitro-3-propan-2-ylsulfonylpyrazole
CID 118549642
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
1-tert-butyl-3-chloro-4-nitropyrazole
CID 153096400
1-methyl-4-nitropyrazole-3-carbonyl chloride
CID 19619555
2-N,2-N,2-trimethyl-1-N-(1-methyl-4-nitropyrazol-3-yl)propane-1,2-diamine
CID 103079835
3-methyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]butan-1-ol
CID 103080149
2-(1-methyl-4-nitropyrazol-3-yl)sulfonylethanesulfonamide
CID 103080489
1-methyl-4-nitro-N-propan-2-ylpyrazole-3-carboxamide
CID 19263922
4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine
CID 103079512
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine (CID 130545255) is 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine is Cn1cc([N+](=O)[O-])c(C(C)(C)N)n1.
What is the InChIKey of 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine?
The InChIKey is OIGPTHDCSIYCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-7(2,8)6-5(11(12)13)4-10(3)9-6/h4H,8H2,1-3H3.
What are the key properties of 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine?
2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine has a molecular weight of 184.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-nitropyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 130545255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).