5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole

C19H18Cl2N2S — CID 141050685

IUPAC5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole
SMILESCc1nn(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C19H18Cl2N2S/c1-12(2)23-19(24-17-10-15(20)9-16(21)11-17)18(13(3)22-23)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyCGIQLZJOHBNYCD-UHFFFAOYSA-N
MW377.34 g/mol
LogP6.90
Rot. Bonds4

About 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole

5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole (PubChem CID 141050685) has the molecular formula C19H18Cl2N2S and a molecular weight of 377.34 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole
PubChem CID141050685
Molecular FormulaC19H18Cl2N2S
Molecular Weight377.34 g/mol
Exact Mass376.06
IUPAC Name5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole
SMILESCc1nn(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C19H18Cl2N2S/c1-12(2)23-19(24-17-10-15(20)9-16(21)11-17)18(13(3)22-23)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyCGIQLZJOHBNYCD-UHFFFAOYSA-N
XLogP6.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.34
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole (CID 141050685) is 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole is Cc1nn(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)c1-c1ccccc1.
What is the InChIKey of 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole?
The InChIKey is CGIQLZJOHBNYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2S/c1-12(2)23-19(24-17-10-15(20)9-16(21)11-17)18(13(3)22-23)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole?
5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole has a molecular weight of 377.34 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-phenyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 141050685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).