1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone

C13H19N3O2 — CID 138379141

IUPAC1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C13H19N3O2/c17-12(8-11-3-6-14-15-11)16-7-1-2-10(9-16)13(18)4-5-13/h3,6,10,18H,1-2,4-5,7-9H2,(H,14,15)
InChIKeyPEYQUUPRSQIIEB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds3

About 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone

1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone (PubChem CID 138379141) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
PubChem CID138379141
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C13H19N3O2/c17-12(8-11-3-6-14-15-11)16-7-1-2-10(9-16)13(18)4-5-13/h3,6,10,18H,1-2,4-5,7-9H2,(H,14,15)
InChIKeyPEYQUUPRSQIIEB-UHFFFAOYSA-N
XLogP0.72
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 80706631
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 138380011
2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 167753439
1-[2-(hydroxymethyl)azepan-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 116636251
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292
1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 137342524
N-[(3aR,6aS)-2-(2-cyclohexylacetyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 167885990
1-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-phenylethanone
CID 7001757
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one
CID 138381261

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone (CID 138379141) is 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone is O=C(Cc1ccn[nH]1)N1CCCC(C2(O)CC2)C1.
What is the InChIKey of 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone?
The InChIKey is PEYQUUPRSQIIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(8-11-3-6-14-15-11)16-7-1-2-10(9-16)13(18)4-5-13/h3,6,10,18H,1-2,4-5,7-9H2,(H,14,15).
What are the key properties of 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone?
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 138379141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).