(3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C12H19N3O — CID 6622359

IUPAC(3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)n[nH]1
InChIInChI=1S/C12H19N3O/c1-8-4-9(2)7-15(6-8)12(16)11-5-10(3)13-14-11/h5,8-9H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyUWCBSMOVDRPDAU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 6622359) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID6622359
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)n[nH]1
InChIInChI=1S/C12H19N3O/c1-8-4-9(2)7-15(6-8)12(16)11-5-10(3)13-14-11/h5,8-9H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyUWCBSMOVDRPDAU-UHFFFAOYSA-N
XLogP1.84
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 6622359) is (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2)n[nH]1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is UWCBSMOVDRPDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-9(2)7-15(6-8)12(16)11-5-10(3)13-14-11/h5,8-9H,4,6-7H2,1-3H3,(H,13,14).
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 6622359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).