[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C12H19N3O2 — CID 79538087

IUPAC[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(O)CC1CCCCN1C(=O)c1ccn[nH]1
InChIInChI=1S/C12H19N3O2/c1-9(16)8-10-4-2-3-7-15(10)12(17)11-5-6-13-14-11/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyYOKMQKCDSLDRPX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.18
Rot. Bonds3

About [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 79538087) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID79538087
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(O)CC1CCCCN1C(=O)c1ccn[nH]1
InChIInChI=1S/C12H19N3O2/c1-9(16)8-10-4-2-3-7-15(10)12(17)11-5-6-13-14-11/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyYOKMQKCDSLDRPX-UHFFFAOYSA-N
XLogP1.18
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 113322296
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95332333

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 79538087) is [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is CC(O)CC1CCCCN1C(=O)c1ccn[nH]1.
What is the InChIKey of [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is YOKMQKCDSLDRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(16)8-10-4-2-3-7-15(10)12(17)11-5-6-13-14-11/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,13,14).
What are the key properties of [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 79538087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).