1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one

C11H17N3O — CID 176931568

IUPAC1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCCCC1
InChIInChI=1S/C11H17N3O/c15-11(13-7-2-1-3-8-13)5-10-14-9-4-6-12-14/h4,6,9H,1-3,5,7-8,10H2
InChIKeyVSRUXCGOSSGKBX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.29
Rot. Bonds3

About 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one

1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one (PubChem CID 176931568) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
PubChem CID176931568
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCCCC1
InChIInChI=1S/C11H17N3O/c15-11(13-7-2-1-3-8-13)5-10-14-9-4-6-12-14/h4,6,9H,1-3,5,7-8,10H2
InChIKeyVSRUXCGOSSGKBX-UHFFFAOYSA-N
XLogP1.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 43501387
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
2-[4-(3-pyrazol-1-ylpropanoyl)-1,4-diazepan-1-yl]benzonitrile
CID 56813037
(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788478
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 42286062
3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 107322936
(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
CID 28789916
4-chloro-7-fluoro-1H-indole-2-carboxylic acid;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 177170280
N-(2-oxo-2-piperazin-1-ylethyl)-3-pyrazol-1-ylpropanamide
CID 61176642
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120658799

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one (CID 176931568) is 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?
The InChIKey is VSRUXCGOSSGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(13-7-2-1-3-8-13)5-10-14-9-4-6-12-14/h4,6,9H,1-3,5,7-8,10H2.
What are the key properties of 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 176931568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).