4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole

C10H9ClN2S — CID 2745107

IUPAC4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2S/c1-7-10(6-12-13-7)14-9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyHWINYNVUZFSNGF-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.52
Rot. Bonds2

About 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole

4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole (PubChem CID 2745107) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole
PubChem CID2745107
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2S/c1-7-10(6-12-13-7)14-9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyHWINYNVUZFSNGF-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole (CID 2745107) is 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole is Cc1[nH]ncc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole?
The InChIKey is HWINYNVUZFSNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-7-10(6-12-13-7)14-9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole?
4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole has a molecular weight of 224.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-5-methyl-1H-pyrazole is sourced from PubChem (CID 2745107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).