2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol

C14H24N2OS — CID 114283090

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol
SMILESCCc1cc(CC(O)C2CCCSC2)n(CC)n1
InChIInChI=1S/C14H24N2OS/c1-3-12-8-13(16(4-2)15-12)9-14(17)11-6-5-7-18-10-11/h8,11,14,17H,3-7,9-10H2,1-2H3
InChIKeyYRWSNHHRPZPBSO-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.51
Rot. Bonds5

About 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol

2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol (PubChem CID 114283090) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol
PubChem CID114283090
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol
SMILESCCc1cc(CC(O)C2CCCSC2)n(CC)n1
InChIInChI=1S/C14H24N2OS/c1-3-12-8-13(16(4-2)15-12)9-14(17)11-6-5-7-18-10-11/h8,11,14,17H,3-7,9-10H2,1-2H3
InChIKeyYRWSNHHRPZPBSO-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 103170098
2-cyclopentyl-3-(1,3-diethylpyrazol-5-yl)-N-ethylpropan-1-amine
CID 115926572
2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965670
[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249387
3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565553
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
1-(thian-3-yl)butan-1-ol
CID 130518370
[2-(1,3-diethylpyrazol-5-yl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210397
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
CID 81018717
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105108962

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol (CID 114283090) is 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol is CCc1cc(CC(O)C2CCCSC2)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol?
The InChIKey is YRWSNHHRPZPBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-12-8-13(16(4-2)15-12)9-14(17)11-6-5-7-18-10-11/h8,11,14,17H,3-7,9-10H2,1-2H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol?
2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol has a molecular weight of 268.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol is sourced from PubChem (CID 114283090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).