ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

C25H29N5O4 — CID 56508412

IUPACethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C25H29N5O4/c1-2-34-25(33)20-16-22(30(28-20)18-8-4-3-5-9-18)24(32)27-19-10-6-7-11-21(19)29-14-12-17(13-15-29)23(26)31/h3-11,17,22H,2,12-16H2,1H3,(H2,26,31)(H,27,32)
InChIKeyJMJXNQQFEPJSAX-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.52
Rot. Bonds7

About ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 56508412) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID56508412
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Nameethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C25H29N5O4/c1-2-34-25(33)20-16-22(30(28-20)18-8-4-3-5-9-18)24(32)27-19-10-6-7-11-21(19)29-14-12-17(13-15-29)23(26)31/h3-11,17,22H,2,12-16H2,1H3,(H2,26,31)(H,27,32)
InChIKeyJMJXNQQFEPJSAX-UHFFFAOYSA-N
XLogP2.52
TPSA117.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[(2-cyclopentyloxyphenyl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56513051
ethyl 3-[[3-methyl-2-(methylcarbamoyl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508186
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 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate
CID 56540066
ethyl 3-[(8-methoxyquinolin-5-yl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56513596
ethyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56521876
ethyl 3-[(3-methoxycarbonylthiophen-2-yl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508404
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
ethyl 3-[[2-oxo-2-(prop-2-ynylamino)ethyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56522027
ethyl (3R)-3-[3-(2-hydroxyethoxy)propylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 97347195
ethyl 3-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508154

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate (CID 56508412) is ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1.
What is the InChIKey of ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is JMJXNQQFEPJSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-2-34-25(33)20-16-22(30(28-20)18-8-4-3-5-9-18)24(32)27-19-10-6-7-11-21(19)29-14-12-17(13-15-29)23(26)31/h3-11,17,22H,2,12-16H2,1H3,(H2,26,31)(H,27,32).
What are the key properties of ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 463.54 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 56508412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).