1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine

C10H14N6O2 — CID 65196844

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine
SMILESCc1nn(C)cc1C(C)n1ncc([N+](=O)[O-])c1N
InChIInChI=1S/C10H14N6O2/c1-6-8(5-14(3)13-6)7(2)15-10(11)9(4-12-15)16(17)18/h4-5,7H,11H2,1-3H3
InChIKeyBUBJFTQNZWZVOJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.02
Rot. Bonds3

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine (PubChem CID 65196844) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine
PubChem CID65196844
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine
SMILESCc1nn(C)cc1C(C)n1ncc([N+](=O)[O-])c1N
InChIInChI=1S/C10H14N6O2/c1-6-8(5-14(3)13-6)7(2)15-10(11)9(4-12-15)16(17)18/h4-5,7H,11H2,1-3H3
InChIKeyBUBJFTQNZWZVOJ-UHFFFAOYSA-N
XLogP1.02
TPSA104.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine (CID 65196844) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine is Cc1nn(C)cc1C(C)n1ncc([N+](=O)[O-])c1N.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine?
The InChIKey is BUBJFTQNZWZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-6-8(5-14(3)13-6)7(2)15-10(11)9(4-12-15)16(17)18/h4-5,7H,11H2,1-3H3.
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine?
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine has a molecular weight of 250.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 65196844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).