(1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone

C13H21N3O — CID 51075761

IUPAC(1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnn(C)c1C
InChIInChI=1S/C13H21N3O/c1-4-11-7-5-6-8-16(11)13(17)12-9-14-15(3)10(12)2/h9,11H,4-8H2,1-3H3
InChIKeyGTCRRMDBJUAODQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone

(1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 51075761) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID51075761
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnn(C)c1C
InChIInChI=1S/C13H21N3O/c1-4-11-7-5-6-8-16(11)13(17)12-9-14-15(3)10(12)2/h9,11H,4-8H2,1-3H3
InChIKeyGTCRRMDBJUAODQ-UHFFFAOYSA-N
XLogP2.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone (CID 51075761) is (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnn(C)c1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is GTCRRMDBJUAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-11-7-5-6-8-16(11)13(17)12-9-14-15(3)10(12)2/h9,11H,4-8H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone?
(1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 51075761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).