N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide

C16H13Cl2N5O3 — CID 540178

IUPACN'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C16H13Cl2N5O3/c1-8-12(13(22-26-8)9-5-3-4-6-10(9)17)15(24)19-20-16(25)14-11(18)7-23(2)21-14/h3-7H,1-2H3,(H,19,24)(H,20,25)
InChIKeyPAWYSBBUZKLOAS-UHFFFAOYSA-N
MW394.22 g/mol
LogP2.77
Rot. Bonds3

About N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide

N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 540178) has the molecular formula C16H13Cl2N5O3 and a molecular weight of 394.22 g/mol. Its IUPAC name is N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID540178
Molecular FormulaC16H13Cl2N5O3
Molecular Weight394.22 g/mol
Exact Mass393.04
IUPAC NameN'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C16H13Cl2N5O3/c1-8-12(13(22-26-8)9-5-3-4-6-10(9)17)15(24)19-20-16(25)14-11(18)7-23(2)21-14/h3-7H,1-2H3,(H,19,24)(H,20,25)
InChIKeyPAWYSBBUZKLOAS-UHFFFAOYSA-N
XLogP2.77
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 674657
3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-isoxazolecarboxamide
CID 1225522
N-(1-benzylpyrazol-4-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4451622
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4-isoxazolecarboxamide
CID 1245960
6-(4-Chlorophenyl)-1,8-dimethyl-4,8-dihydroisoxazolo[5,4-c]pyrazolo[4,3-e]azepine
CID 57405437
N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2809427
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone
CID 4132797
4-[(4-bromo-1H-pyrazol-1-yl)carbonyl]-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole
CID 5057741
N-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide
CID 16804061
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 47036948
3-(2-Chloro-6-fluorophenyl)-4-[2-(1-ethyl-1H-pyrazol-5-YL)pyrrolidine-1-carbonyl]-5-methyl-1,2-oxazole
CID 50747002
3-(2-chlorophenyl)-5-methyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)isoxazole-4-carboxamide
CID 71808050

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide (CID 540178) is N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1nn(C)cc1Cl.
What is the InChIKey of N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is PAWYSBBUZKLOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O3/c1-8-12(13(22-26-8)9-5-3-4-6-10(9)17)15(24)19-20-16(25)14-11(18)7-23(2)21-14/h3-7H,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 394.22 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 540178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).