[5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol

C17H15ClN2OS — CID 2763921

IUPAC[5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Sc1ccccc1Cl
InChIInChI=1S/C17H15ClN2OS/c1-20-17(22-15-10-6-5-9-14(15)18)13(11-21)16(19-20)12-7-3-2-4-8-12/h2-10,21H,11H2,1H3
InChIKeyKSQZONIRIYXZDA-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.38
Rot. Bonds4

About [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol

[5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol (PubChem CID 2763921) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol
PubChem CID2763921
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name[5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Sc1ccccc1Cl
InChIInChI=1S/C17H15ClN2OS/c1-20-17(22-15-10-6-5-9-14(15)18)13(11-21)16(19-20)12-7-3-2-4-8-12/h2-10,21H,11H2,1H3
InChIKeyKSQZONIRIYXZDA-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol?
The IUPAC name of [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol (CID 2763921) is [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol is Cn1nc(-c2ccccc2)c(CO)c1Sc1ccccc1Cl.
What is the InChIKey of [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol?
The InChIKey is KSQZONIRIYXZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-20-17(22-15-10-6-5-9-14(15)18)13(11-21)16(19-20)12-7-3-2-4-8-12/h2-10,21H,11H2,1H3.
What are the key properties of [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol?
[5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol has a molecular weight of 330.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 2763921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).