N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide

C15H13ClN4O3S — CID 3321461

IUPACN'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc2c(Cl)c(C(=O)NNC(=O)c3cc(C)[nH]n3)sc2c1
InChIInChI=1S/C15H13ClN4O3S/c1-7-5-10(18-17-7)14(21)19-20-15(22)13-12(16)9-4-3-8(23-2)6-11(9)24-13/h3-6H,1-2H3,(H,17,18)(H,19,21)(H,20,22)
InChIKeyZOJCKEHAKUIMJF-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.67
Rot. Bonds3

About N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide

N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 3321461) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID3321461
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC NameN'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc2c(Cl)c(C(=O)NNC(=O)c3cc(C)[nH]n3)sc2c1
InChIInChI=1S/C15H13ClN4O3S/c1-7-5-10(18-17-7)14(21)19-20-15(22)13-12(16)9-4-3-8(23-2)6-11(9)24-13/h3-6H,1-2H3,(H,17,18)(H,19,21)(H,20,22)
InChIKeyZOJCKEHAKUIMJF-UHFFFAOYSA-N
XLogP2.67
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-methoxy-N'-(thiophene-2-carbonyl)-1-benzothiophene-2-carbohydrazide
CID 1013841
3-chloro-6-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 4033326
3-chloro-6-methoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4513616
3-chloro-6-methoxy-N'-[2-(4-nitrophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 1013795
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393
3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
3-chloro-6-methoxy-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 34315616
3-chloro-N-[(1R,2R)-2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]cyclohexyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 2377769
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 2225268
3-chloro-N'-[2-(2,4-dichlorophenoxy)propanoyl]-6-methoxy-1-benzothiophene-2-carbohydrazide
CID 3432281
3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
CID 675724

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide (CID 3321461) is N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide is COc1ccc2c(Cl)c(C(=O)NNC(=O)c3cc(C)[nH]n3)sc2c1.
What is the InChIKey of N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is ZOJCKEHAKUIMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-7-5-10(18-17-7)14(21)19-20-15(22)13-12(16)9-4-3-8(23-2)6-11(9)24-13/h3-6H,1-2H3,(H,17,18)(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 364.81 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 3321461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).