3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol

C14H24N2OS — CID 66138390

IUPAC3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol
SMILESCC(CCO)SCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H24N2OS/c1-12(8-10-17)18-11-13-7-9-16(15-13)14-5-3-2-4-6-14/h7,9,12,14,17H,2-6,8,10-11H2,1H3
InChIKeyFMVFIHAYCFGKOQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.39
Rot. Bonds6

About 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol

3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol (PubChem CID 66138390) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol
PubChem CID66138390
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol
SMILESCC(CCO)SCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H24N2OS/c1-12(8-10-17)18-11-13-7-9-16(15-13)14-5-3-2-4-6-14/h7,9,12,14,17H,2-6,8,10-11H2,1H3
InChIKeyFMVFIHAYCFGKOQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butanoic acid
CID 66135793
1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66217471
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
CID 79682458
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
1-cyclohexyl-3-ethylpyrazole
CID 66014335
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
CID 64779027
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol?
The IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol (CID 66138390) is 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol is CC(CCO)SCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol?
The InChIKey is FMVFIHAYCFGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12(8-10-17)18-11-13-7-9-16(15-13)14-5-3-2-4-6-14/h7,9,12,14,17H,2-6,8,10-11H2,1H3.
What are the key properties of 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol?
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol is sourced from PubChem (CID 66138390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).