3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol

C12H20N2O2S — CID 79682458

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H20N2O2S/c15-7-12(16)9-17-8-10-5-6-14(13-10)11-3-1-2-4-11/h5-6,11-12,15-16H,1-4,7-9H2
InChIKeyKMHPRRUARPAGHU-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.58
Rot. Bonds6

About 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol

3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol (PubChem CID 79682458) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
PubChem CID79682458
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H20N2O2S/c15-7-12(16)9-17-8-10-5-6-14(13-10)11-3-1-2-4-11/h5-6,11-12,15-16H,1-4,7-9H2
InChIKeyKMHPRRUARPAGHU-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66217471
1-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butan-2-amine
CID 66227990
2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
CID 64779027
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66217324
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66218804
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol
CID 66138390
3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole
CID 66290739
[3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]methanol
CID 66347197
(2R)-3-[[1-(4-fluorophenyl)pyrazol-3-yl]methylsulfanyl]propane-1,2-diol
CID 97221108
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol (CID 79682458) is 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol is OCC(O)CSCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol?
The InChIKey is KMHPRRUARPAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c15-7-12(16)9-17-8-10-5-6-14(13-10)11-3-1-2-4-11/h5-6,11-12,15-16H,1-4,7-9H2.
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol?
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol has a molecular weight of 256.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 79682458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).