[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol

C14H24ClN3O — CID 66024539

IUPAC[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESCCc1nn(CC)c(CC2(CO)CCNCC2)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-3-11-13(15)12(18(4-2)17-11)9-14(10-19)5-7-16-8-6-14/h16,19H,3-10H2,1-2H3
InChIKeyVCZOLBKUWSLKIH-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.02
Rot. Bonds5

About [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol

[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol (PubChem CID 66024539) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
PubChem CID66024539
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESCCc1nn(CC)c(CC2(CO)CCNCC2)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-3-11-13(15)12(18(4-2)17-11)9-14(10-19)5-7-16-8-6-14/h16,19H,3-10H2,1-2H3
InChIKeyVCZOLBKUWSLKIH-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66026319
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 66036687
[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058600
[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025196
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66024347
[4-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025190
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966491
4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 106798368
4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 66466758
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510437
4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
CID 115927269

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol (CID 66024539) is [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol is CCc1nn(CC)c(CC2(CO)CCNCC2)c1Cl.
What is the InChIKey of [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is VCZOLBKUWSLKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-11-13(15)12(18(4-2)17-11)9-14(10-19)5-7-16-8-6-14/h16,19H,3-10H2,1-2H3.
What are the key properties of [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 285.82 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 66024539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).