ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

C23H26N4O4 — CID 56521876

IUPACethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCN(c3ccccc3O)CC2)C1
InChIInChI=1S/C23H26N4O4/c1-2-31-23(30)18-16-20(27(24-18)17-8-4-3-5-9-17)22(29)26-14-12-25(13-15-26)19-10-6-7-11-21(19)28/h3-11,20,28H,2,12-16H2,1H3
InChIKeyVEFKZFPIMIMBRG-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.24
Rot. Bonds5

About ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 56521876) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID56521876
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nameethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCN(c3ccccc3O)CC2)C1
InChIInChI=1S/C23H26N4O4/c1-2-31-23(30)18-16-20(27(24-18)17-8-4-3-5-9-17)22(29)26-14-12-25(13-15-26)19-10-6-7-11-21(19)28/h3-11,20,28H,2,12-16H2,1H3
InChIKeyVEFKZFPIMIMBRG-UHFFFAOYSA-N
XLogP2.24
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate
CID 56508532
ethyl 3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56573441
ethyl 3-(3-acetyloxypiperidine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 75387915
methyl 1-(5-ethoxycarbonyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 56556561
ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508535
(3S)-2-(3-chlorophenyl)-5-ethoxycarbonyl-3,4-dihydropyrazole-3-carboxylic acid
CID 95657417
ethyl 3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508018
ethyl 3-[(3,4-difluorophenyl)-methylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56507125
ethyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508277
5-ethoxycarbonyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3-carboxylic acid
CID 75358007
(3R)-5-ethoxycarbonyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3-carboxylic acid
CID 95657292
ethyl 3-(3-anilinopropylcarbamoyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56586356

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate (CID 56521876) is ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCN(c3ccccc3O)CC2)C1.
What is the InChIKey of ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is VEFKZFPIMIMBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-2-31-23(30)18-16-20(27(24-18)17-8-4-3-5-9-17)22(29)26-14-12-25(13-15-26)19-10-6-7-11-21(19)28/h3-11,20,28H,2,12-16H2,1H3.
What are the key properties of ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 56521876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).