(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C15H21N3O — CID 121184183

IUPAC(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C15H21N3O/c1-10-14(11(2)17(3)16-10)15(19)18-8-6-13(7-9-18)12-4-5-12/h4-9H2,1-3H3
InChIKeyMZCNPTNVDIJBRM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.36
Rot. Bonds1

About (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 121184183) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID121184183
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C15H21N3O/c1-10-14(11(2)17(3)16-10)15(19)18-8-6-13(7-9-18)12-4-5-12/h4-9H2,1-3H3
InChIKeyMZCNPTNVDIJBRM-UHFFFAOYSA-N
XLogP2.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 43251610
[4-methyl-4-(methylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115304418
(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 33168964
[(3R)-3-methylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 81427482
(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63259075
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 71983988
N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011990
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
[4-(2-chloroethoxy)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 82701236
[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129483467
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanone;hydrochloride
CID 119638383
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 19331879

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 121184183) is (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCC(=C2CC2)CC1.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is MZCNPTNVDIJBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-14(11(2)17(3)16-10)15(19)18-8-6-13(7-9-18)12-4-5-12/h4-9H2,1-3H3.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 121184183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).