2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide

C12H14N4OS — CID 144674633

IUPAC2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide
SMILESCNNC(=S)c1ccc(-n2cccn2)cc1OC
InChIInChI=1S/C12H14N4OS/c1-13-15-12(18)10-5-4-9(8-11(10)17-2)16-7-3-6-14-16/h3-8,13H,1-2H3,(H,15,18)
InChIKeyVLPDMYGMCWBNEX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.28
Rot. Bonds4

About 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide

2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide (PubChem CID 144674633) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide
PubChem CID144674633
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide
SMILESCNNC(=S)c1ccc(-n2cccn2)cc1OC
InChIInChI=1S/C12H14N4OS/c1-13-15-12(18)10-5-4-9(8-11(10)17-2)16-7-3-6-14-16/h3-8,13H,1-2H3,(H,15,18)
InChIKeyVLPDMYGMCWBNEX-UHFFFAOYSA-N
XLogP1.28
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
CID 126822232
2-(2-methoxy-4-pyrazol-1-ylphenyl)acetonitrile
CID 59343517
3-methoxy-5-pyrazol-1-ylphenol
CID 165141321
7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide
CID 166521152
(3R)-N-(2-amino-2-oxoethyl)-1-(2-methoxy-4-pyrazol-1-ylbenzoyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 59756251
methyl 2-nitro-5-pyrazol-1-ylbenzoate
CID 58565081
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
2-bromo-4-pyrazol-1-ylbenzamide
CID 107282932
ethyl 4-(2-hydroxy-4-pyrazol-1-ylphenyl)-2,4-dioxobutanoate
CID 126484801
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
5-(difluoromethyl)-N-[(2-methoxy-4-pyrazol-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine
CID 167902115
1-(2,3-dimethoxyphenyl)pyrazole
CID 90873377

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide?
The IUPAC name of 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide (CID 144674633) is 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide.
What is the SMILES notation for 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide?
The canonical SMILES for 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide is CNNC(=S)c1ccc(-n2cccn2)cc1OC.
What is the InChIKey of 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide?
The InChIKey is VLPDMYGMCWBNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-13-15-12(18)10-5-4-9(8-11(10)17-2)16-7-3-6-14-16/h3-8,13H,1-2H3,(H,15,18).
What are the key properties of 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide?
2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide has a molecular weight of 262.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methyl-4-pyrazol-1-ylbenzenecarbothiohydrazide is sourced from PubChem (CID 144674633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).