(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol

C17H16N2OS — CID 2763922

IUPAC(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Sc1ccccc1
InChIInChI=1S/C17H16N2OS/c1-19-17(21-14-10-6-3-7-11-14)15(12-20)16(18-19)13-8-4-2-5-9-13/h2-11,20H,12H2,1H3
InChIKeyVJJVDUDIFMFYCO-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.73
Rot. Bonds4

About (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol

(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol (PubChem CID 2763922) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol
PubChem CID2763922
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Sc1ccccc1
InChIInChI=1S/C17H16N2OS/c1-19-17(21-14-10-6-3-7-11-14)15(12-20)16(18-19)13-8-4-2-5-9-13/h2-11,20H,12H2,1H3
InChIKeyVJJVDUDIFMFYCO-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methanol
CID 1474368
{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methanol
CID 2763766
(5-((4-Fluorophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 2774743
(3-(4-(Methylthio)phenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 3300100
(1-(4-Methylphenyl)-3-(4-(methylthio)phenyl)-1H-pyrazol-4-YL)methanol
CID 3746575
(1-Methyl-3-phenyl-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-YL)methanol
CID 1476565
[1-Methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 2775498
Cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955830
{5-[(2-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methanol
CID 2763921
(1-Methyl-3-(trifluoromethyl)-5-{[3-(trifluoro-methyl)phenyl]sulfanyl}-1H-pyrazol-4-yl)methanol
CID 1475904
N-[(3-fluorophenyl)methoxy]-1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanimine
CID 2765610
N-[(4-fluorophenyl)methoxy]-1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanimine
CID 2765611

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol?
The IUPAC name of (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol (CID 2763922) is (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol?
The canonical SMILES for (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol is Cn1nc(-c2ccccc2)c(CO)c1Sc1ccccc1.
What is the InChIKey of (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol?
The InChIKey is VJJVDUDIFMFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19-17(21-14-10-6-3-7-11-14)15(12-20)16(18-19)13-8-4-2-5-9-13/h2-11,20H,12H2,1H3.
What are the key properties of (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol?
(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol has a molecular weight of 296.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanol is sourced from PubChem (CID 2763922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).