1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol

C12H22N2OS — CID 65131163

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
SMILESCCSCC(O)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C12H22N2OS/c1-4-10(3)14-7-6-11(13-14)8-12(15)9-16-5-2/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyWNEWVBVQXMTUJD-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.51
Rot. Bonds7

About 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol

1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol (PubChem CID 65131163) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
PubChem CID65131163
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
SMILESCCSCC(O)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C12H22N2OS/c1-4-10(3)14-7-6-11(13-14)8-12(15)9-16-5-2/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyWNEWVBVQXMTUJD-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-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
CID 116659983
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol
CID 64783184
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-3-one
CID 64784588
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol (CID 65131163) is 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol is CCSCC(O)Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol?
The InChIKey is WNEWVBVQXMTUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-10(3)14-7-6-11(13-14)8-12(15)9-16-5-2/h6-7,10,12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol?
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-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-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol is sourced from PubChem (CID 65131163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).