(3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone

C12H19N3O2 — CID 16925246

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C12H19N3O2/c1-9-4-6-15(7-5-9)12(16)10-8-14(2)13-11(10)17-3/h8-9H,4-7H2,1-3H3
InChIKeyUQKQGXIOVASCCX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds2

About (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone

(3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 16925246) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID16925246
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C12H19N3O2/c1-9-4-6-15(7-5-9)12(16)10-8-14(2)13-11(10)17-3/h8-9H,4-7H2,1-3H3
InChIKeyUQKQGXIOVASCCX-UHFFFAOYSA-N
XLogP1.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 16925246) is (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone is COc1nn(C)cc1C(=O)N1CCC(C)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UQKQGXIOVASCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-4-6-15(7-5-9)12(16)10-8-14(2)13-11(10)17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
(3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 16925246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).