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

C10H15N3O — CID 62867071

IUPAC1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C10H15N3O/c1-8(14)13-6-2-3-9(7-13)10-4-5-11-12-10/h4-5,9H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyMSHKLEFDKTXQNT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.14
Rot. Bonds1

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

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 62867071) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID62867071
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C10H15N3O/c1-8(14)13-6-2-3-9(7-13)10-4-5-11-12-10/h4-5,9H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyMSHKLEFDKTXQNT-UHFFFAOYSA-N
XLogP1.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 64824388
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 62867071) is 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is MSHKLEFDKTXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(14)13-6-2-3-9(7-13)10-4-5-11-12-10/h4-5,9H,2-3,6-7H2,1H3,(H,11,12).
What are the key properties of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62867071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).