(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

C11H16ClN3O — CID 66126511

IUPAC(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Cl)C2)n(C)n1
InChIInChI=1S/C11H16ClN3O/c1-8-6-10(14(2)13-8)11(16)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3
InChIKeyWEBPAIOVGYFSMG-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.57
Rot. Bonds1

About (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 66126511) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID66126511
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Cl)C2)n(C)n1
InChIInChI=1S/C11H16ClN3O/c1-8-6-10(14(2)13-8)11(16)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3
InChIKeyWEBPAIOVGYFSMG-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

(3S)-1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 78996840
(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66128203
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,5-dimethylpyrazol-3-yl)methanone
CID 81483265
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498196
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
[1-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]pyrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097980
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 91945394
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (CID 66126511) is (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCCC(Cl)C2)n(C)n1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is WEBPAIOVGYFSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-6-10(14(2)13-8)11(16)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3.
What are the key properties of (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-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 (3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 66126511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).