(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone

C11H16ClN3O — CID 114671308

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(C)CCCCN1
InChIInChI=1S/C11H16ClN3O/c1-11(5-3-4-6-13-11)10(16)9-8(12)7-14-15(9)2/h7,13H,3-6H2,1-2H3
InChIKeyJRYGZALZZZQALS-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.79
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone (PubChem CID 114671308) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
PubChem CID114671308
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(C)CCCCN1
InChIInChI=1S/C11H16ClN3O/c1-11(5-3-4-6-13-11)10(16)9-8(12)7-14-15(9)2/h7,13H,3-6H2,1-2H3
InChIKeyJRYGZALZZZQALS-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone (CID 114671308) is (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone is Cn1ncc(Cl)c1C(=O)C1(C)CCCCN1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone?
The InChIKey is JRYGZALZZZQALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-11(5-3-4-6-13-11)10(16)9-8(12)7-14-15(9)2/h7,13H,3-6H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone has a molecular weight of 241.72 g/mol, XLogP of 1.79, 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)-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 114671308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).