1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol

C12H22N2OS — CID 64785470

IUPAC1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CSC)n1
InChIInChI=1S/C12H22N2OS/c1-4-11(5-2)14-7-6-10(13-14)8-12(15)9-16-3/h6-7,11-12,15H,4-5,8-9H2,1-3H3
InChIKeyBRWSFHOOECGENP-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.51
Rot. Bonds7

About 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol

1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol (PubChem CID 64785470) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
PubChem CID64785470
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CSC)n1
InChIInChI=1S/C12H22N2OS/c1-4-11(5-2)14-7-6-10(13-14)8-12(15)9-16-3/h6-7,11-12,15H,4-5,8-9H2,1-3H3
InChIKeyBRWSFHOOECGENP-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
CID 64785290
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 102927552
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol (CID 64785470) is 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol is CCC(CC)n1ccc(CC(O)CSC)n1.
What is the InChIKey of 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The InChIKey is BRWSFHOOECGENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-11(5-2)14-7-6-10(13-14)8-12(15)9-16-3/h6-7,11-12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 64785470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).