CID 164738464

C26H27Cl3N3O3 — CID 164738464

IUPAC—
SMILESCc1c(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H27Cl3N3O3/c1-15-22(24(33)35-19-13-25(2,3)32(34)26(4,5)14-19)30-31(21-11-10-18(28)12-20(21)29)23(15)16-6-8-17(27)9-7-16/h6-12,19H,13-14H2,1-5H3
InChIKeyUSENDJNXNYEYES-UHFFFAOYSA-N
MW535.88 g/mol
LogP7.33
Rot. Bonds4

About CID 164738464

CID 164738464 (PubChem CID 164738464) has the molecular formula C26H27Cl3N3O3 and a molecular weight of 535.88 g/mol.

Molecular Properties

Compound NameCID 164738464
PubChem CID164738464
Molecular FormulaC26H27Cl3N3O3
Molecular Weight535.88 g/mol
Exact Mass534.11
IUPAC Name—
SMILESCc1c(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H27Cl3N3O3/c1-15-22(24(33)35-19-13-25(2,3)32(34)26(4,5)14-19)30-31(21-11-10-18(28)12-20(21)29)23(15)16-6-8-17(27)9-7-16/h6-12,19H,13-14H2,1-5H3
InChIKeyUSENDJNXNYEYES-UHFFFAOYSA-N
XLogP7.33
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.88
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze CID 164738464 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

(2,2,3,3,4-pentamethylcyclopentyl) 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
CID 166948862
CID 164738467
CID 164738467
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroethanone
CID 71654208
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide
CID 118923029
N-[[4-(aminomethyl)cyclohexyl]methyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 56665226
[(3R)-1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-3-yl] 2-chlorobenzoate
CID 71468229
2-(hexadecanoylamino)ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
CID 154648340
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686

Frequently Asked Questions

What is the IUPAC name of CID 164738464?
The IUPAC name of CID 164738464 (CID 164738464) is not available.
What is the SMILES notation for CID 164738464?
The canonical SMILES for CID 164738464 is Cc1c(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of CID 164738464?
The InChIKey is USENDJNXNYEYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl3N3O3/c1-15-22(24(33)35-19-13-25(2,3)32(34)26(4,5)14-19)30-31(21-11-10-18(28)12-20(21)29)23(15)16-6-8-17(27)9-7-16/h6-12,19H,13-14H2,1-5H3.
What are the key properties of CID 164738464?
CID 164738464 has a molecular weight of 535.88 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164738464 is sourced from PubChem (CID 164738464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).