methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate

C14H23N3O3 — CID 110913158

IUPACmethyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C14H23N3O3/c1-20-14(19)5-9-16-7-3-12(4-8-16)13-2-6-15-17(13)10-11-18/h2,6,12,18H,3-5,7-11H2,1H3
InChIKeyUDBKCZQKUWUHQD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.62
Rot. Bonds6

About methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate

methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate (PubChem CID 110913158) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
PubChem CID110913158
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C14H23N3O3/c1-20-14(19)5-9-16-7-3-12(4-8-16)13-2-6-15-17(13)10-11-18/h2,6,12,18H,3-5,7-11H2,1H3
InChIKeyUDBKCZQKUWUHQD-UHFFFAOYSA-N
XLogP0.62
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 75443653
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 154793910
3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982600
3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one
CID 51104567
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 97334827
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
[4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126779273
2-[5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110913125
2-[5-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 86877009
N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide
CID 86877003

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate (CID 110913158) is methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate is COC(=O)CCN1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate?
The InChIKey is UDBKCZQKUWUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-20-14(19)5-9-16-7-3-12(4-8-16)13-2-6-15-17(13)10-11-18/h2,6,12,18H,3-5,7-11H2,1H3.
What are the key properties of methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate?
methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate has a molecular weight of 281.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate is sourced from PubChem (CID 110913158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).