[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate

C19H16ClN3O4 — CID 7797570

IUPAC[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C19H16ClN3O4/c1-23-17(10-15(22-23)12-6-8-13(20)9-7-12)21-18(25)11-27-19(26)14-4-2-3-5-16(14)24/h2-10,24H,11H2,1H3,(H,21,25)
InChIKeyJEMQRRLBKWBPLT-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.24
Rot. Bonds5

About [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate

[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 7797570) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
PubChem CID7797570
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C19H16ClN3O4/c1-23-17(10-15(22-23)12-6-8-13(20)9-7-12)21-18(25)11-27-19(26)14-4-2-3-5-16(14)24/h2-10,24H,11H2,1H3,(H,21,25)
InChIKeyJEMQRRLBKWBPLT-UHFFFAOYSA-N
XLogP3.24
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759291
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065198
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954452
[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate
CID 2423143
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 41161348
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529166
2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8007009
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 55480914
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8005758
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170346210

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate (CID 7797570) is [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate is Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COC(=O)c1ccccc1O.
What is the InChIKey of [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is JEMQRRLBKWBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-23-17(10-15(22-23)12-6-8-13(20)9-7-12)21-18(25)11-27-19(26)14-4-2-3-5-16(14)24/h2-10,24H,11H2,1H3,(H,21,25).
What are the key properties of [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate?
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 385.81 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 7797570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).