(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone

C11H16ClN3O — CID 114669176

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(C)CCCNC1
InChIInChI=1S/C11H16ClN3O/c1-11(4-3-5-13-7-11)10(16)9-8(12)6-14-15(9)2/h6,13H,3-5,7H2,1-2H3
InChIKeyPCTBNSXSIRKNOZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 114669176) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
PubChem CID114669176
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(C)CCCNC1
InChIInChI=1S/C11H16ClN3O/c1-11(4-3-5-13-7-11)10(16)9-8(12)6-14-15(9)2/h6,13H,3-5,7H2,1-2H3
InChIKeyPCTBNSXSIRKNOZ-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
CID 114671308
(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
CID 114641258
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
CID 114640025
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone
CID 114669093
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone (CID 114669176) is (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone is Cn1ncc(Cl)c1C(=O)C1(C)CCCNC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is PCTBNSXSIRKNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-11(4-3-5-13-7-11)10(16)9-8(12)6-14-15(9)2/h6,13H,3-5,7H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 241.72 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 114669176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).