N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide

C19H19N3OS — CID 112797938

IUPACN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H19N3OS/c1-14-3-5-15(6-4-14)13-22-18(11-12-20-22)21-19(23)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyHCIGTUVIHXUICH-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.21
Rot. Bonds5

About N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide

N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide (PubChem CID 112797938) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
PubChem CID112797938
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H19N3OS/c1-14-3-5-15(6-4-14)13-22-18(11-12-20-22)21-19(23)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyHCIGTUVIHXUICH-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
CID 78864779
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 31124402
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide
CID 86906690
5-bromo-2-iodo-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 112797900
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
CID 35579716

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide (CID 112797938) is N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide?
The InChIKey is HCIGTUVIHXUICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-3-5-15(6-4-14)13-22-18(11-12-20-22)21-19(23)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide?
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide has a molecular weight of 337.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 112797938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).