N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide

C13H15N3OS — CID 110483761

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1cnn(C)c1
InChIInChI=1S/C13H15N3OS/c1-16-9-10(8-15-16)7-14-13(17)11-5-3-4-6-12(11)18-2/h3-6,8-9H,7H2,1-2H3,(H,14,17)
InChIKeySYVNWAUZBDWDHN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.07
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide

N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide (PubChem CID 110483761) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
PubChem CID110483761
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1cnn(C)c1
InChIInChI=1S/C13H15N3OS/c1-16-9-10(8-15-16)7-14-13(17)11-5-3-4-6-12(11)18-2/h3-6,8-9H,7H2,1-2H3,(H,14,17)
InChIKeySYVNWAUZBDWDHN-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-methylsulfanylbenzamide
CID 966900
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107027466
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110461051
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide (CID 110483761) is N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1cnn(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is SYVNWAUZBDWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-16-9-10(8-15-16)7-14-13(17)11-5-3-4-6-12(11)18-2/h3-6,8-9H,7H2,1-2H3,(H,14,17).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide?
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 110483761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).