5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate

C21H19ClN3O3- — CID 7207474

IUPAC5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate
SMILESCc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCCC(=O)[O-])c1-c1ccccc1
InChIInChI=1S/C21H20ClN3O3/c1-14-20(15-6-3-2-4-7-15)21(23-18(26)8-5-9-19(27)28)25(24-14)17-12-10-16(22)11-13-17/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,26)(H,27,28)/p-1
InChIKeyRDFLYZRAHKNBJW-UHFFFAOYSA-M
MW396.85 g/mol
LogP3.36
Rot. Bonds7

About 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate

5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate (PubChem CID 7207474) has the molecular formula C21H19ClN3O3- and a molecular weight of 396.85 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate
PubChem CID7207474
Molecular FormulaC21H19ClN3O3-
Molecular Weight396.85 g/mol
Exact Mass396.11
IUPAC Name5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate
SMILESCc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCCC(=O)[O-])c1-c1ccccc1
InChIInChI=1S/C21H20ClN3O3/c1-14-20(15-6-3-2-4-7-15)21(23-18(26)8-5-9-19(27)28)25(24-14)17-12-10-16(22)11-13-17/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,26)(H,27,28)/p-1
InChIKeyRDFLYZRAHKNBJW-UHFFFAOYSA-M
XLogP3.36
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide
CID 4311371
5-(2,6-dimethylmorpholin-4-yl)-N-(3-methyl-1,4-diphenylpyrazol-5-yl)-5-oxopentanamide
CID 5002174
N-benzyl-N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]pentanediamide
CID 3682138
N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide
CID 42765045
N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide
CID 2035531
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
N-cyclohexyl-N'-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]butanediamide
CID 5186742
N-[1-(3-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]-4-(4-ethylpiperazin-1-yl)-4-oxobutanamide
CID 4679445
2-[butyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3948461
2-[butyl-[(3-chloro-4-fluorophenyl)carbamoyl]amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4012640
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
CID 1056445
N-butyl-2,4-dichloro-N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 4237836

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate?
The IUPAC name of 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate (CID 7207474) is 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate?
The canonical SMILES for 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate is Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCCC(=O)[O-])c1-c1ccccc1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate?
The InChIKey is RDFLYZRAHKNBJW-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-20(15-6-3-2-4-7-15)21(23-18(26)8-5-9-19(27)28)25(24-14)17-12-10-16(22)11-13-17/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,26)(H,27,28)/p-1.
What are the key properties of 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate?
5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate has a molecular weight of 396.85 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 7207474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).