azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone

C13H21N3O2 — CID 119070590

IUPACazocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccnn1CCO)N1CCCCCCC1
InChIInChI=1S/C13H21N3O2/c17-11-10-16-12(6-7-14-16)13(18)15-8-4-2-1-3-5-9-15/h6-7,17H,1-5,8-11H2
InChIKeyKHZPXJSCBDYATN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds3

About azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone

azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone (PubChem CID 119070590) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone
PubChem CID119070590
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameazocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccnn1CCO)N1CCCCCCC1
InChIInChI=1S/C13H21N3O2/c17-11-10-16-12(6-7-14-16)13(18)15-8-4-2-1-3-5-9-15/h6-7,17H,1-5,8-11H2
InChIKeyKHZPXJSCBDYATN-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6469888
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
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US10214537, Example 154
CID 132220335
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
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(1-Ethyl-3-pyrazolyl)piperidinomethanone
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N,N-dicyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 19617269
(1-ethyl-1H-pyrazol-5-yl)[2-(2-morpholinoethyl)piperidino]methanone
CID 53193449
5-(2-Ethylpyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201391
(3S)-3-ethyl-4-[(1-propyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 70775948
2-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]pyrazole-3-carboxamide
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N-[(1S)-1-(aminocarbonyl)-3-methylbutyl]-1-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone?
The IUPAC name of azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone (CID 119070590) is azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone?
The canonical SMILES for azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone is O=C(c1ccnn1CCO)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone?
The InChIKey is KHZPXJSCBDYATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-11-10-16-12(6-7-14-16)13(18)15-8-4-2-1-3-5-9-15/h6-7,17H,1-5,8-11H2.
What are the key properties of azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone?
azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone has a molecular weight of 251.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 119070590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).