5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide

C9H11N5OS — CID 121020856

IUPAC5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide
SMILESCc1nc(C)c(-c2cc(C(=O)NN)n[nH]2)s1
InChIInChI=1S/C9H11N5OS/c1-4-8(16-5(2)11-4)6-3-7(14-13-6)9(15)12-10/h3H,10H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFEVAKFOKXAKLMD-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.75
Rot. Bonds2

About 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide

5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide (PubChem CID 121020856) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide
PubChem CID121020856
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide
SMILESCc1nc(C)c(-c2cc(C(=O)NN)n[nH]2)s1
InChIInChI=1S/C9H11N5OS/c1-4-8(16-5(2)11-4)6-3-7(14-13-6)9(15)12-10/h3H,10H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFEVAKFOKXAKLMD-UHFFFAOYSA-N
XLogP0.75
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-5-[4-methyl-2-[4-(4-methylphenyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162644035
N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162647646
N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162654572
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 45498891
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484286
5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide
CID 178014551
5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide
CID 162650024
[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]hydrazine
CID 7174025
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 2805447
1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157407689
N-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 112687120
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
CID 126664102

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide (CID 121020856) is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide is Cc1nc(C)c(-c2cc(C(=O)NN)n[nH]2)s1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is FEVAKFOKXAKLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-4-8(16-5(2)11-4)6-3-7(14-13-6)9(15)12-10/h3H,10H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide?
5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 237.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 121020856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).