[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol

C16H20N2OS — CID 66347197

IUPAC[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol
SMILESOCc1cccc(SCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C16H20N2OS/c19-11-13-4-3-7-16(10-13)20-12-14-8-9-18(17-14)15-5-1-2-6-15/h3-4,7-10,15,19H,1-2,5-6,11-12H2
InChIKeySQLHBAQQZUZUKE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.78
Rot. Bonds5

About [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol

[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol (PubChem CID 66347197) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol
PubChem CID66347197
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol
SMILESOCc1cccc(SCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C16H20N2OS/c19-11-13-4-3-7-16(10-13)20-12-14-8-9-18(17-14)15-5-1-2-6-15/h3-4,7-10,15,19H,1-2,5-6,11-12H2
InChIKeySQLHBAQQZUZUKE-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]aniline
CID 79133685
2-chloro-4-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]aniline
CID 79149861
2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
CID 64779027
1-[4-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]ethanone
CID 64776982
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
CID 79682458
4-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79131684
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
(3-cyclohexylsulfanylphenyl)methanol
CID 66348157
4-chloro-2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]aniline
CID 79528565
[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol
CID 106931186
2-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]-5-methylaniline
CID 64785127
[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629971

Frequently Asked Questions

What is the IUPAC name of [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol (CID 66347197) is [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol is OCc1cccc(SCc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol?
The InChIKey is SQLHBAQQZUZUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-11-13-4-3-7-16(10-13)20-12-14-8-9-18(17-14)15-5-1-2-6-15/h3-4,7-10,15,19H,1-2,5-6,11-12H2.
What are the key properties of [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol?
[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol has a molecular weight of 288.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 66347197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).