4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol

C14H22N2OS — CID 83190390

IUPAC4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H22N2OS/c17-14-10-18-9-11(14)8-12-6-7-16(15-12)13-4-2-1-3-5-13/h6-7,11,13-14,17H,1-5,8-10H2
InChIKeyKYFSIFXKTDYPRY-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.65
Rot. Bonds3

About 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol

4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol (PubChem CID 83190390) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
PubChem CID83190390
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H22N2OS/c17-14-10-18-9-11(14)8-12-6-7-16(15-12)13-4-2-1-3-5-13/h6-7,11,13-14,17H,1-5,8-10H2
InChIKeyKYFSIFXKTDYPRY-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine
CID 83195968
4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
CID 83196608
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[(2-chloro-5-methylcyclohexyl)methyl]-1-cyclohexylpyrazole
CID 64778257
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81011678
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol?
The IUPAC name of 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol (CID 83190390) is 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol.
What is the SMILES notation for 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol?
The canonical SMILES for 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol is OC1CSCC1Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol?
The InChIKey is KYFSIFXKTDYPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c17-14-10-18-9-11(14)8-12-6-7-16(15-12)13-4-2-1-3-5-13/h6-7,11,13-14,17H,1-5,8-10H2.
What are the key properties of 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol?
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol has a molecular weight of 266.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol is sourced from PubChem (CID 83190390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).