(4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone

C18H14F2N2OS — CID 2133999

IUPAC(4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone
SMILESCc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2OS/c1-11-17(24-16-9-7-15(20)8-10-16)12(2)22(21-11)18(23)13-3-5-14(19)6-4-13/h3-10H,1-2H3
InChIKeyPVNZGECVABMYHX-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.62
Rot. Bonds3

About (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone

(4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone (PubChem CID 2133999) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone
PubChem CID2133999
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone
SMILESCc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2OS/c1-11-17(24-16-9-7-15(20)8-10-16)12(2)22(21-11)18(23)13-3-5-14(19)6-4-13/h3-10H,1-2H3
InChIKeyPVNZGECVABMYHX-UHFFFAOYSA-N
XLogP4.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone (CID 2133999) is (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone is Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone?
The InChIKey is PVNZGECVABMYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c1-11-17(24-16-9-7-15(20)8-10-16)12(2)22(21-11)18(23)13-3-5-14(19)6-4-13/h3-10H,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone?
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone is sourced from PubChem (CID 2133999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).