ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate

C27H29Cl2N7O4 — CID 56672011

IUPACethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2c(CC)c(C(=O)NC(C)(C)c3nnnn3C)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C27H29Cl2N7O4/c1-6-19-23(25(38)30-27(3,4)26-31-33-34-35(26)5)32-36(21-13-10-17(28)14-20(21)29)24(19)16-8-11-18(12-9-16)40-15-22(37)39-7-2/h8-14H,6-7,15H2,1-5H3,(H,30,38)
InChIKeyHKOVLGWNWHBSBF-UHFFFAOYSA-N
MW586.48 g/mol
LogP4.54
Rot. Bonds10

About ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate

ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate (PubChem CID 56672011) has the molecular formula C27H29Cl2N7O4 and a molecular weight of 586.48 g/mol. Its IUPAC name is ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate
PubChem CID56672011
Molecular FormulaC27H29Cl2N7O4
Molecular Weight586.48 g/mol
Exact Mass585.17
IUPAC Nameethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2c(CC)c(C(=O)NC(C)(C)c3nnnn3C)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C27H29Cl2N7O4/c1-6-19-23(25(38)30-27(3,4)26-31-33-34-35(26)5)32-36(21-13-10-17(28)14-20(21)29)24(19)16-8-11-18(12-9-16)40-15-22(37)39-7-2/h8-14H,6-7,15H2,1-5H3,(H,30,38)
InChIKeyHKOVLGWNWHBSBF-UHFFFAOYSA-N
XLogP4.54
TPSA126.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate 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

N-[2-[2-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 44372607
Ethyl 2-[3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]phenoxy]-2-methylpropanoate
CID 53356799
[4-[1-(2,4-Dichlorophenyl)-4-methyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenyl] propane-1-sulfonate
CID 56665059
1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
CID 56665060
Ethyl 4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]benzoate
CID 56672010
2-[4-[1-(2,4-Dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetic acid
CID 56668517
3-(2,4-dichlorophenyl)-12-methoxy-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 56672118
1-(2,4-dichlorophenyl)-4-ethyl-5-(4-hydroxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
CID 136208106
methyl 1-({[5-[4-(benzyloxy)phenyl]-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]carbonyl}amino)cyclopentanecarboxylate
CID 68799881
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide
CID 69228666
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide
CID 69229537
1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 91434707

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate (CID 56672011) is ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate is CCOC(=O)COc1ccc(-c2c(CC)c(C(=O)NC(C)(C)c3nnnn3C)nn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate?
The InChIKey is HKOVLGWNWHBSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N7O4/c1-6-19-23(25(38)30-27(3,4)26-31-33-34-35(26)5)32-36(21-13-10-17(28)14-20(21)29)24(19)16-8-11-18(12-9-16)40-15-22(37)39-7-2/h8-14H,6-7,15H2,1-5H3,(H,30,38).
What are the key properties of ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate?
ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate has a molecular weight of 586.48 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-(2,4-dichlorophenyl)-4-ethyl-3-[2-(1-methyltetrazol-5-yl)propan-2-ylcarbamoyl]pyrazol-5-yl]phenoxy]acetate is sourced from PubChem (CID 56672011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).