2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol

C14H24ClN3O — CID 106634560

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
SMILESCCc1nn(CC)c(CC(O)C2CCCCN2)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-3-10-14(15)12(18(4-2)17-10)9-13(19)11-7-5-6-8-16-11/h11,13,16,19H,3-9H2,1-2H3
InChIKeyLJEAEOSNLBFLON-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.16
Rot. Bonds5

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol (PubChem CID 106634560) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
PubChem CID106634560
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
SMILESCCc1nn(CC)c(CC(O)C2CCCCN2)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-3-10-14(15)12(18(4-2)17-10)9-13(19)11-7-5-6-8-16-11/h11,13,16,19H,3-9H2,1-2H3
InChIKeyLJEAEOSNLBFLON-UHFFFAOYSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 116582605
5-(3-bromo-2-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 112570654
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105318256
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
CID 115926580
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614313
5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 113390424
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone
CID 116576301
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627356
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105001487
4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
CID 115927269
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol (CID 106634560) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol is CCc1nn(CC)c(CC(O)C2CCCCN2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol?
The InChIKey is LJEAEOSNLBFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-10-14(15)12(18(4-2)17-10)9-13(19)11-7-5-6-8-16-11/h11,13,16,19H,3-9H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol has a molecular weight of 285.82 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol is sourced from PubChem (CID 106634560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).