[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate

C27H25N3O4 — CID 2423143

IUPAC[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate
SMILESCCCc1ccc(-c2cc(NC(=O)COC(=O)c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H25N3O4/c1-2-8-19-13-15-20(16-14-19)23-17-25(30(29-23)21-9-4-3-5-10-21)28-26(32)18-34-27(33)22-11-6-7-12-24(22)31/h3-7,9-17,31H,2,8,18H2,1H3,(H,28,32)
InChIKeyNTNAALOVSSOLEM-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.99
Rot. Bonds8

About [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate

[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate (PubChem CID 2423143) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate
PubChem CID2423143
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate
SMILESCCCc1ccc(-c2cc(NC(=O)COC(=O)c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H25N3O4/c1-2-8-19-13-15-20(16-14-19)23-17-25(30(29-23)21-9-4-3-5-10-21)28-26(32)18-34-27(33)22-11-6-7-12-24(22)31/h3-7,9-17,31H,2,8,18H2,1H3,(H,28,32)
InChIKeyNTNAALOVSSOLEM-UHFFFAOYSA-N
XLogP4.99
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7797570
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641122
2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772360
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 18208130
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 27727925
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7985543
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 4783344
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 16522577
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 4847057
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate?
The IUPAC name of [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate (CID 2423143) is [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate is CCCc1ccc(-c2cc(NC(=O)COC(=O)c3ccccc3O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate?
The InChIKey is NTNAALOVSSOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-2-8-19-13-15-20(16-14-19)23-17-25(30(29-23)21-9-4-3-5-10-21)28-26(32)18-34-27(33)22-11-6-7-12-24(22)31/h3-7,9-17,31H,2,8,18H2,1H3,(H,28,32).
What are the key properties of [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate?
[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate has a molecular weight of 455.51 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2423143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).