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

C24H26N6O3 — CID 56540066

IUPACethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)C1
InChIInChI=1S/C24H26N6O3/c1-4-33-24(32)19-14-20(30(29-19)16-10-6-5-7-11-16)23(31)25-18-13-9-8-12-17(18)22-26-21(15(2)3)27-28-22/h5-13,15,20H,4,14H2,1-3H3,(H,25,31)(H,26,27,28)
InChIKeyVMVZMVPSFLXUBK-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.73
Rot. Bonds7

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

ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate (PubChem CID 56540066) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate
PubChem CID56540066
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Nameethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)C1
InChIInChI=1S/C24H26N6O3/c1-4-33-24(32)19-14-20(30(29-19)16-10-6-5-7-11-16)23(31)25-18-13-9-8-12-17(18)22-26-21(15(2)3)27-28-22/h5-13,15,20H,4,14H2,1-3H3,(H,25,31)(H,26,27,28)
InChIKeyVMVZMVPSFLXUBK-UHFFFAOYSA-N
XLogP3.73
TPSA112.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56507001
ethyl 3-[[3-methyl-2-(methylcarbamoyl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508186
ethyl (3R)-2-phenyl-3-(1H-pyrazol-5-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 95302285
ethyl (3R)-2-phenyl-3-(1H-1,2,4-triazol-5-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 95570973
ethyl 3-[(2-cyclopentyloxyphenyl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56513051
ethyl 3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508018
ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508412
2-(cyclopropylmethylamino)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide;hydrochloride
CID 119737134
1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 60559874
ethyl 3-[(3-methoxycarbonylthiophen-2-yl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508404
ethyl 2-phenyl-3-(quinolin-6-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 56508530
ethyl 3-[(8-methoxyquinolin-5-yl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56513596

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of 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) is ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)C1.
What is the InChIKey of ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is VMVZMVPSFLXUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-4-33-24(32)19-14-20(30(29-19)16-10-6-5-7-11-16)23(31)25-18-13-9-8-12-17(18)22-26-21(15(2)3)27-28-22/h5-13,15,20H,4,14H2,1-3H3,(H,25,31)(H,26,27,28).
What are the key properties of ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate?
ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 446.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 56540066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).