N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide

C14H16N4OS — CID 79503984

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2[nH]ncc2C(N)=S)cc1C
InChIInChI=1S/C14H16N4OS/c1-8-3-4-10(5-9(8)2)6-12(19)17-14-11(13(15)20)7-16-18-14/h3-5,7H,6H2,1-2H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyLJTRPEWTCLXLRX-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.84
Rot. Bonds4

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 79503984) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID79503984
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2[nH]ncc2C(N)=S)cc1C
InChIInChI=1S/C14H16N4OS/c1-8-3-4-10(5-9(8)2)6-12(19)17-14-11(13(15)20)7-16-18-14/h3-5,7H,6H2,1-2H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyLJTRPEWTCLXLRX-UHFFFAOYSA-N
XLogP1.84
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea
CID 79500493
2-(4-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113236911
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methylbutanamide
CID 79504345
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-chloro-4-methylbenzamide
CID 106861315
N-(3-amino-4-methylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62057767
N-(5-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)acetamide
CID 60655374
2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630203
N-(4-amino-4-sulfanylidenebutyl)-2-(3,4-dimethylphenyl)acetamide
CID 62667726
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 79503790
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18077203

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide (CID 79503984) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2[nH]ncc2C(N)=S)cc1C.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is LJTRPEWTCLXLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-8-3-4-10(5-9(8)2)6-12(19)17-14-11(13(15)20)7-16-18-14/h3-5,7H,6H2,1-2H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 288.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 79503984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).