(3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone

C18H23N3O — CID 5307799

IUPAC(3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O/c1-13-9-14(2)12-20(11-13)18(22)17-10-15(3)19-21(17)16-7-5-4-6-8-16/h4-8,10,13-14H,9,11-12H2,1-3H3
InChIKeyRWIRGSKAJADDSB-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.30
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone (PubChem CID 5307799) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone
PubChem CID5307799
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O/c1-13-9-14(2)12-20(11-13)18(22)17-10-15(3)19-21(17)16-7-5-4-6-8-16/h4-8,10,13-14H,9,11-12H2,1-3H3
InChIKeyRWIRGSKAJADDSB-UHFFFAOYSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone (CID 5307799) is (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2)n(-c2ccccc2)n1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone?
The InChIKey is RWIRGSKAJADDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-9-14(2)12-20(11-13)18(22)17-10-15(3)19-21(17)16-7-5-4-6-8-16/h4-8,10,13-14H,9,11-12H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 5307799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).