3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

C19H18ClN3OS — CID 19552278

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCc1c(Cl)cnn1CCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H18ClN3OS/c1-14-16(20)13-21-23(14)12-11-19(24)22-17-9-5-6-10-18(17)25-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,24)
InChIKeyJTAMOKXFOXMBAZ-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.02
Rot. Bonds6

About 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 19552278) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID19552278
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCc1c(Cl)cnn1CCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H18ClN3OS/c1-14-16(20)13-21-23(14)12-11-19(24)22-17-9-5-6-10-18(17)25-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,24)
InChIKeyJTAMOKXFOXMBAZ-UHFFFAOYSA-N
XLogP5.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542004
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551954
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19529284
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
ethyl 5-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19552325
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 4518276
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide (CID 19552278) is 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide is Cc1c(Cl)cnn1CCC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is JTAMOKXFOXMBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-14-16(20)13-21-23(14)12-11-19(24)22-17-9-5-6-10-18(17)25-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,24).
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide?
3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 371.89 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 19552278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).