1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen

C12H23N3O — CID 177369384

IUPAC1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen
SMILESCCC(CCN(C)C)n1nccc1C(C)=O.[H][H]
InChIInChI=1S/C12H21N3O.H2/c1-5-11(7-9-14(3)4)15-12(10(2)16)6-8-13-15;/h6,8,11H,5,7,9H2,1-4H3;1H
InChIKeyRRNLYZYDJSMNJF-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.23
Rot. Bonds6

About 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen

1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen (PubChem CID 177369384) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen
PubChem CID177369384
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen
SMILESCCC(CCN(C)C)n1nccc1C(C)=O.[H][H]
InChIInChI=1S/C12H21N3O.H2/c1-5-11(7-9-14(3)4)15-12(10(2)16)6-8-13-15;/h6,8,11H,5,7,9H2,1-4H3;1H
InChIKeyRRNLYZYDJSMNJF-UHFFFAOYSA-N
XLogP2.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen?
The IUPAC name of 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen (CID 177369384) is 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen.
What is the SMILES notation for 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen?
The canonical SMILES for 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen is CCC(CCN(C)C)n1nccc1C(C)=O.[H][H].
What is the InChIKey of 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen?
The InChIKey is RRNLYZYDJSMNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.H2/c1-5-11(7-9-14(3)4)15-12(10(2)16)6-8-13-15;/h6,8,11H,5,7,9H2,1-4H3;1H.
What are the key properties of 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen?
1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen has a molecular weight of 225.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 177369384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).