[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol

C13H22ClN3O — CID 66026319

IUPAC[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESCCc1nn(C)c(CC2(CO)CCNCC2)c1Cl
InChIInChI=1S/C13H22ClN3O/c1-3-10-12(14)11(17(2)16-10)8-13(9-18)4-6-15-7-5-13/h15,18H,3-9H2,1-2H3
InChIKeyIUBVGLBHDVTIEW-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.54
Rot. Bonds4

About [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol

[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol (PubChem CID 66026319) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
PubChem CID66026319
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESCCc1nn(C)c(CC2(CO)CCNCC2)c1Cl
InChIInChI=1S/C13H22ClN3O/c1-3-10-12(14)11(17(2)16-10)8-13(9-18)4-6-15-7-5-13/h15,18H,3-9H2,1-2H3
InChIKeyIUBVGLBHDVTIEW-UHFFFAOYSA-N
XLogP1.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392385
4-[(4-Chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392485
4-[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392532
3-[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluoropiperidine
CID 112562858
3-[(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-fluoropiperidine
CID 112562869
3-[(4-Chloro-1,3-diethylpyrazol-5-yl)methyl]-3-fluoropiperidine
CID 112563010
3-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine
CID 112563020
4-[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoropiperidine
CID 112563115
4-[(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoropiperidine
CID 112563125
4-[(4-Chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine
CID 112563253
4-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoropiperidine
CID 112563263
4-[2-(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112563681

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol (CID 66026319) is [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol is CCc1nn(C)c(CC2(CO)CCNCC2)c1Cl.
What is the InChIKey of [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is IUBVGLBHDVTIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-10-12(14)11(17(2)16-10)8-13(9-18)4-6-15-7-5-13/h15,18H,3-9H2,1-2H3.
What are the key properties of [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 271.79 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 66026319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).