(4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

C19H24ClN3O — CID 45227234

IUPAC(4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCCn1ncc(CN2CCCC(C(=O)c3ccc(Cl)cc3)C2)c1C
InChIInChI=1S/C19H24ClN3O/c1-3-23-14(2)17(11-21-23)13-22-10-4-5-16(12-22)19(24)15-6-8-18(20)9-7-15/h6-9,11,16H,3-5,10,12-13H2,1-2H3
InChIKeyHAXNYXKWJFGLGJ-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.96
Rot. Bonds5

About (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

(4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (PubChem CID 45227234) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
PubChem CID45227234
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name(4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCCn1ncc(CN2CCCC(C(=O)c3ccc(Cl)cc3)C2)c1C
InChIInChI=1S/C19H24ClN3O/c1-3-23-14(2)17(11-21-23)13-22-10-4-5-16(12-22)19(24)15-6-8-18(20)9-7-15/h6-9,11,16H,3-5,10,12-13H2,1-2H3
InChIKeyHAXNYXKWJFGLGJ-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (CID 45227234) is (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is CCn1ncc(CN2CCCC(C(=O)c3ccc(Cl)cc3)C2)c1C.
What is the InChIKey of (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is HAXNYXKWJFGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-3-23-14(2)17(11-21-23)13-22-10-4-5-16(12-22)19(24)15-6-8-18(20)9-7-15/h6-9,11,16H,3-5,10,12-13H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
(4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 345.87 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45227234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).