1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol

C17H28N2OS — CID 105102348

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
SMILESOC(Cc1ccn(C2CCCCC2)n1)CC1CCSCC1
InChIInChI=1S/C17H28N2OS/c20-17(12-14-7-10-21-11-8-14)13-15-6-9-19(18-15)16-4-2-1-3-5-16/h6,9,14,16-17,20H,1-5,7-8,10-13H2
InChIKeySGBSNWHWZAURPL-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.83
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol

1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol (PubChem CID 105102348) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
PubChem CID105102348
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
SMILESOC(Cc1ccn(C2CCCCC2)n1)CC1CCSCC1
InChIInChI=1S/C17H28N2OS/c20-17(12-14-7-10-21-11-8-14)13-15-6-9-19(18-15)16-4-2-1-3-5-16/h6,9,14,16-17,20H,1-5,7-8,10-13H2
InChIKeySGBSNWHWZAURPL-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105157056
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393519
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
CID 64784919
1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785466
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
[1-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105314445
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785473

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol (CID 105102348) is 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol is OC(Cc1ccn(C2CCCCC2)n1)CC1CCSCC1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol?
The InChIKey is SGBSNWHWZAURPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c20-17(12-14-7-10-21-11-8-14)13-15-6-9-19(18-15)16-4-2-1-3-5-16/h6,9,14,16-17,20H,1-5,7-8,10-13H2.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol?
1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol has a molecular weight of 308.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol is sourced from PubChem (CID 105102348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).