1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole

C10H13N5O2 — CID 66013271

IUPAC1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole
SMILESCCn1nc(C)c([N+](=O)[O-])c1-n1ccc(C)n1
InChIInChI=1S/C10H13N5O2/c1-4-13-10(14-6-5-7(2)11-14)9(15(16)17)8(3)12-13/h5-6H,4H2,1-3H3
InChIKeyGOJDICUFLNKPOT-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.61
Rot. Bonds3

About 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole

1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole (PubChem CID 66013271) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole
PubChem CID66013271
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole
SMILESCCn1nc(C)c([N+](=O)[O-])c1-n1ccc(C)n1
InChIInChI=1S/C10H13N5O2/c1-4-13-10(14-6-5-7(2)11-14)9(15(16)17)8(3)12-13/h5-6H,4H2,1-3H3
InChIKeyGOJDICUFLNKPOT-UHFFFAOYSA-N
XLogP1.61
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole 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-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66012841
(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
CID 104892733
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-4-thiophen-2-ylpiperazine
CID 122145561
1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
CID 130557665
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanol
CID 106837306
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidine-2-carbaldehyde
CID 66012079
1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)-1,2,4-triazole-3-carbonitrile
CID 66028433
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-4-methylpiperidine-4-carboxylic acid
CID 66012964
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976800
1-ethyl-3-methyl-4-nitro-5-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]pyrazole
CID 124628538
1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole
CID 66013021

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole?
The IUPAC name of 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole (CID 66013271) is 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole?
The canonical SMILES for 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole is CCn1nc(C)c([N+](=O)[O-])c1-n1ccc(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole?
The InChIKey is GOJDICUFLNKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-4-13-10(14-6-5-7(2)11-14)9(15(16)17)8(3)12-13/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole?
1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole has a molecular weight of 235.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole is sourced from PubChem (CID 66013271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).