N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide

C20H21N3O2S — CID 46087824

IUPACN-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCSC)cc1
InChIInChI=1S/C20H21N3O2S/c1-25-17-10-8-16(9-11-17)23-19(21-20(24)12-13-26-2)14-18(22-23)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyCNDMNWUZSDSDHW-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.24
Rot. Bonds7

About N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide

N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide (PubChem CID 46087824) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
PubChem CID46087824
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCSC)cc1
InChIInChI=1S/C20H21N3O2S/c1-25-17-10-8-16(9-11-17)23-19(21-20(24)12-13-26-2)14-18(22-23)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyCNDMNWUZSDSDHW-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
CID 46087822
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 50802659
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
2-[benzylcarbamoyl(ethyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 42658160
N-butyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]nonanamide
CID 3579116
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42741285
N-ethyl-2,4-dimethoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 1062184
N-ethyl-2-fluoro-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42731982
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide (CID 46087824) is N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide is COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCSC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide?
The InChIKey is CNDMNWUZSDSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-25-17-10-8-16(9-11-17)23-19(21-20(24)12-13-26-2)14-18(22-23)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide?
N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide has a molecular weight of 367.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 46087824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).