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

C12H20ClN3O — CID 107225981

IUPAC(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol
SMILESCCc1nn(C)c(CN2CCC[C@H](O)C2)c1Cl
InChIInChI=1S/C12H20ClN3O/c1-3-10-12(13)11(15(2)14-10)8-16-6-4-5-9(17)7-16/h9,17H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyPHSVCFOXQGJIFU-VIFPVBQESA-N
MW257.76 g/mol
LogP1.59
Rot. Bonds3

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

(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol (PubChem CID 107225981) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol
PubChem CID107225981
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol
SMILESCCc1nn(C)c(CN2CCC[C@H](O)C2)c1Cl
InChIInChI=1S/C12H20ClN3O/c1-3-10-12(13)11(15(2)14-10)8-16-6-4-5-9(17)7-16/h9,17H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyPHSVCFOXQGJIFU-VIFPVBQESA-N
XLogP1.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80679511
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 80690615
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314492
4-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80680393
2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339257
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81115995
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine
CID 66197341
2-(bromomethyl)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80674648
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 102959533
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351830

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol (CID 107225981) is (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol is CCc1nn(C)c(CN2CCC[C@H](O)C2)c1Cl.
What is the InChIKey of (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol?
The InChIKey is PHSVCFOXQGJIFU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-10-12(13)11(15(2)14-10)8-16-6-4-5-9(17)7-16/h9,17H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol?
(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol has a molecular weight of 257.76 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 107225981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).