4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

C10H12N6O3S — CID 63577394

IUPAC4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1nn(Cc2csc(C(=O)NN)n2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O3S/c1-5-8(16(18)19)6(2)15(14-5)3-7-4-20-10(12-7)9(17)13-11/h4H,3,11H2,1-2H3,(H,13,17)
InChIKeyBPKRVQIZIBLMGM-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.52
Rot. Bonds4

About 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63577394) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63577394
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1nn(Cc2csc(C(=O)NN)n2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O3S/c1-5-8(16(18)19)6(2)15(14-5)3-7-4-20-10(12-7)9(17)13-11/h4H,3,11H2,1-2H3,(H,13,17)
InChIKeyBPKRVQIZIBLMGM-UHFFFAOYSA-N
XLogP0.52
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide 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 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 63577394) is 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is Cc1nn(Cc2csc(C(=O)NN)n2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is BPKRVQIZIBLMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c1-5-8(16(18)19)6(2)15(14-5)3-7-4-20-10(12-7)9(17)13-11/h4H,3,11H2,1-2H3,(H,13,17).
What are the key properties of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 296.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63577394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).