2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol

C15H18N2OS — CID 64779027

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
SMILESOc1ccccc1SCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H18N2OS/c18-14-7-3-4-8-15(14)19-11-12-9-10-17(16-12)13-5-1-2-6-13/h3-4,7-10,13,18H,1-2,5-6,11H2
InChIKeyWKCXABSIDKKOIK-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.00
Rot. Bonds4

About 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol

2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol (PubChem CID 64779027) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
PubChem CID64779027
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
SMILESOc1ccccc1SCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H18N2OS/c18-14-7-3-4-8-15(14)19-11-12-9-10-17(16-12)13-5-1-2-6-13/h3-4,7-10,13,18H,1-2,5-6,11H2
InChIKeyWKCXABSIDKKOIK-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
CID 79682458
2-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]-5-methylaniline
CID 64785127
[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol
CID 66347197
4-chloro-2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]aniline
CID 79528565
1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66217471
1-[4-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]ethanone
CID 64776982
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]aniline
CID 79133685
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
1-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butan-2-amine
CID 66227990
[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629971

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol (CID 64779027) is 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol is Oc1ccccc1SCc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol?
The InChIKey is WKCXABSIDKKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-14-7-3-4-8-15(14)19-11-12-9-10-17(16-12)13-5-1-2-6-13/h3-4,7-10,13,18H,1-2,5-6,11H2.
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol?
2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol has a molecular weight of 274.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol is sourced from PubChem (CID 64779027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).