N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide

C19H17Cl2N3OS — CID 46087822

IUPACN-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H17Cl2N3OS/c1-26-10-9-19(25)22-18-12-16(13-5-3-2-4-6-13)23-24(18)17-11-14(20)7-8-15(17)21/h2-8,11-12H,9-10H2,1H3,(H,22,25)
InChIKeyXHINUDMSBVAMOQ-UHFFFAOYSA-N
MW406.34 g/mol
LogP5.54
Rot. Bonds6

About N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide

N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide (PubChem CID 46087822) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
PubChem CID46087822
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC NameN-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H17Cl2N3OS/c1-26-10-9-19(25)22-18-12-16(13-5-3-2-4-6-13)23-24(18)17-11-14(20)7-8-15(17)21/h2-8,11-12H,9-10H2,1H3,(H,22,25)
InChIKeyXHINUDMSBVAMOQ-UHFFFAOYSA-N
XLogP5.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
CID 46087824
N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide
CID 46087819
3,5-dichloro-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4648496
2,4-dichloro-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3307948
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 42740892
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide
CID 42740898
N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide
CID 46087757
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[dimethylcarbamoyl(propyl)amino]acetamide
CID 42740918
N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide
CID 4275920
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 42740904
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 42740882

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide (CID 46087822) is N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide?
The InChIKey is XHINUDMSBVAMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-26-10-9-19(25)22-18-12-16(13-5-3-2-4-6-13)23-24(18)17-11-14(20)7-8-15(17)21/h2-8,11-12H,9-10H2,1H3,(H,22,25).
What are the key properties of N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide?
N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide has a molecular weight of 406.34 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 46087822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).