ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

C24H26N6O4 — CID 56507929

IUPACethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)C1
InChIInChI=1S/C24H26N6O4/c1-4-33-24(32)18-13-19(30(28-18)17-10-6-5-7-11-17)22(31)26-20(15(2)3)23-27-21(29-34-23)16-9-8-12-25-14-16/h5-12,14-15,19-20H,4,13H2,1-3H3,(H,26,31)
InChIKeyQOUSMYFCWQCUIF-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.14
Rot. Bonds8

About ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 56507929) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID56507929
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Nameethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)C1
InChIInChI=1S/C24H26N6O4/c1-4-33-24(32)18-13-19(30(28-18)17-10-6-5-7-11-17)22(31)26-20(15(2)3)23-27-21(29-34-23)16-9-8-12-25-14-16/h5-12,14-15,19-20H,4,13H2,1-3H3,(H,26,31)
InChIKeyQOUSMYFCWQCUIF-UHFFFAOYSA-N
XLogP3.14
TPSA122.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide
CID 56509929
ethyl 2-phenyl-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate
CID 56508532
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97239105
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
ethyl 3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508018
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
ethyl 2-phenyl-3-(quinolin-6-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 56508530
ethyl 3-[[2-oxo-2-(prop-2-ynylamino)ethyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56522027
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 94817594
2-cyclopent-2-en-1-yl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 51107775
ethyl 3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56507001

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of 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) is ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(C(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)C1.
What is the InChIKey of ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is QOUSMYFCWQCUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-4-33-24(32)18-13-19(30(28-18)17-10-6-5-7-11-17)22(31)26-20(15(2)3)23-27-21(29-34-23)16-9-8-12-25-14-16/h5-12,14-15,19-20H,4,13H2,1-3H3,(H,26,31).
What are the key properties of ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 56507929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).