(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

C11H16ClN3O — CID 63390631

IUPAC(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(Cl)CC2)cnn1C
InChIInChI=1S/C11H16ClN3O/c1-8-10(7-13-14(8)2)11(16)15-5-3-9(12)4-6-15/h7,9H,3-6H2,1-2H3
InChIKeyAKPMRKPFFKFCLA-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.57
Rot. Bonds1

About (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 63390631) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID63390631
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(Cl)CC2)cnn1C
InChIInChI=1S/C11H16ClN3O/c1-8-10(7-13-14(8)2)11(16)15-5-3-9(12)4-6-15/h7,9H,3-6H2,1-2H3
InChIKeyAKPMRKPFFKFCLA-UHFFFAOYSA-N
XLogP1.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 114267680
[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797520
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902
[4-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-4-yl]piperidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 138049108
[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
(1,5-dimethylpyrazol-4-yl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 114506616
4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione
CID 66085561

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (CID 63390631) is (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCC(Cl)CC2)cnn1C.
What is the InChIKey of (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is AKPMRKPFFKFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-10(7-13-14(8)2)11(16)15-5-3-9(12)4-6-15/h7,9H,3-6H2,1-2H3.
What are the key properties of (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 241.72 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 63390631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).