(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol

C13H16N2OS — CID 63814567

IUPAC(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol
SMILESCCSc1c(CO)c(C)nn1-c1ccccc1
InChIInChI=1S/C13H16N2OS/c1-3-17-13-12(9-16)10(2)14-15(13)11-7-5-4-6-8-11/h4-8,16H,3,9H2,1-2H3
InChIKeyJMUOSLAWFHFXAZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.79
Rot. Bonds4

About (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol

(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol (PubChem CID 63814567) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol
PubChem CID63814567
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol
SMILESCCSc1c(CO)c(C)nn1-c1ccccc1
InChIInChI=1S/C13H16N2OS/c1-3-17-13-12(9-16)10(2)14-15(13)11-7-5-4-6-8-11/h4-8,16H,3,9H2,1-2H3
InChIKeyJMUOSLAWFHFXAZ-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol
CID 15252513
ethyl 2-[4-(hydroxymethyl)-3-methyl-1-phenylpyrazol-5-yl]sulfanylacetate
CID 63834938
3-[4-(hydroxymethyl)-3-methyl-1-phenylpyrazol-5-yl]sulfanylbutan-2-ol
CID 107772346
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
N-[(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)methyl]ethanamine
CID 63813577
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol
CID 43570330
1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine
CID 63835282
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
CID 39096917

Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol (CID 63814567) is (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol is CCSc1c(CO)c(C)nn1-c1ccccc1.
What is the InChIKey of (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol?
The InChIKey is JMUOSLAWFHFXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-17-13-12(9-16)10(2)14-15(13)11-7-5-4-6-8-11/h4-8,16H,3,9H2,1-2H3.
What are the key properties of (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol?
(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol has a molecular weight of 248.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 63814567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).