2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride

C19H20Cl3N3S — CID 23470876

IUPAC2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2c(CC3NCCS3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C19H18ClN3S.2ClH/c20-16-8-6-14(7-9-16)19-15(12-18-21-10-11-24-18)13-22-23(19)17-4-2-1-3-5-17;;/h1-9,13,18,21H,10-12H2;2*1H
InChIKeyPNICGGBZHJOBRV-UHFFFAOYSA-N
MW428.82 g/mol
LogP5.24
Rot. Bonds4

About 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride

2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride (PubChem CID 23470876) has the molecular formula C19H20Cl3N3S and a molecular weight of 428.82 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride
PubChem CID23470876
Molecular FormulaC19H20Cl3N3S
Molecular Weight428.82 g/mol
Exact Mass427.04
IUPAC Name2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2c(CC3NCCS3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C19H18ClN3S.2ClH/c20-16-8-6-14(7-9-16)19-15(12-18-21-10-11-24-18)13-22-23(19)17-4-2-1-3-5-17;;/h1-9,13,18,21H,10-12H2;2*1H
InChIKeyPNICGGBZHJOBRV-UHFFFAOYSA-N
XLogP5.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride (CID 23470876) is 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride is Cl.Cl.Clc1ccc(-c2c(CC3NCCS3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride?
The InChIKey is PNICGGBZHJOBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3S.2ClH/c20-16-8-6-14(7-9-16)19-15(12-18-21-10-11-24-18)13-22-23(19)17-4-2-1-3-5-17;;/h1-9,13,18,21H,10-12H2;2*1H.
What are the key properties of 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride?
2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride has a molecular weight of 428.82 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride is sourced from PubChem (CID 23470876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).