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

C23H25N5O4 — CID 56508532

IUPACethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCN(C(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C23H25N5O4/c1-2-32-23(31)19-15-20(28(25-19)18-8-4-3-5-9-18)22(30)27-13-11-26(12-14-27)21(29)17-7-6-10-24-16-17/h3-10,16,20H,2,11-15H2,1H3
InChIKeyKEDNTJJKKFICCQ-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.56
Rot. Bonds5

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

ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate (PubChem CID 56508532) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate
PubChem CID56508532
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Nameethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCN(C(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C23H25N5O4/c1-2-32-23(31)19-15-20(28(25-19)18-8-4-3-5-9-18)22(30)27-13-11-26(12-14-27)21(29)17-7-6-10-24-16-17/h3-10,16,20H,2,11-15H2,1H3
InChIKeyKEDNTJJKKFICCQ-UHFFFAOYSA-N
XLogP1.56
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56521876
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
ethyl 3-(3,3-dimethylmorpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508535
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56507929
methyl 1-(5-ethoxycarbonyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 56556561
ethyl 3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508018
ethyl (3R)-2-phenyl-3-(1H-pyrazol-5-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 95302285
ethyl 3-[(3,4-difluorophenyl)-methylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56507125
ethyl 2-phenyl-3-(quinolin-6-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 56508530
(3S)-2-(3-chlorophenyl)-5-ethoxycarbonyl-3,4-dihydropyrazole-3-carboxylic acid
CID 95657417

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate (CID 56508532) is ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(C(=O)N2CCN(C(=O)c3cccnc3)CC2)C1.
What is the InChIKey of ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is KEDNTJJKKFICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-2-32-23(31)19-15-20(28(25-19)18-8-4-3-5-9-18)22(30)27-13-11-26(12-14-27)21(29)17-7-6-10-24-16-17/h3-10,16,20H,2,11-15H2,1H3.
What are the key properties of ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate?
ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 56508532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).