(4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone

C18H15ClN2OS — CID 723037

IUPAC(4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1
InChIInChI=1S/C18H15ClN2OS/c1-12-17(23-16-6-4-3-5-7-16)13(2)21(20-12)18(22)14-8-10-15(19)11-9-14/h3-11H,1-2H3
InChIKeyDNTVMWFSYPPYLZ-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.99
Rot. Bonds3

About (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone

(4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone (PubChem CID 723037) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone
PubChem CID723037
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name(4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1
InChIInChI=1S/C18H15ClN2OS/c1-12-17(23-16-6-4-3-5-7-16)13(2)21(20-12)18(22)14-8-10-15(19)11-9-14/h3-11H,1-2H3
InChIKeyDNTVMWFSYPPYLZ-UHFFFAOYSA-N
XLogP4.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone (CID 723037) is (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone is Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1.
What is the InChIKey of (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone?
The InChIKey is DNTVMWFSYPPYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-17(23-16-6-4-3-5-7-16)13(2)21(20-12)18(22)14-8-10-15(19)11-9-14/h3-11H,1-2H3.
What are the key properties of (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone?
(4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone has a molecular weight of 342.85 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone is sourced from PubChem (CID 723037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).