(4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone

C17H25F3N4O — CID 136557534

IUPAC(4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
SMILESCC1(N2CCCC2)CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1
InChIInChI=1S/C17H25F3N4O/c1-16(23-7-2-3-8-23)4-9-22(10-5-16)15(25)14-12-21-24(13-14)11-6-17(18,19)20/h12-13H,2-11H2,1H3
InChIKeyAGHNCJHYLAPREE-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.93
Rot. Bonds4

About (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone

(4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone (PubChem CID 136557534) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
PubChem CID136557534
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC Name(4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
SMILESCC1(N2CCCC2)CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1
InChIInChI=1S/C17H25F3N4O/c1-16(23-7-2-3-8-23)4-9-22(10-5-16)15(25)14-12-21-24(13-14)11-6-17(18,19)20/h12-13H,2-11H2,1H3
InChIKeyAGHNCJHYLAPREE-UHFFFAOYSA-N
XLogP2.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-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 (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone?
The IUPAC name of (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone (CID 136557534) is (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone?
The canonical SMILES for (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone is CC1(N2CCCC2)CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1.
What is the InChIKey of (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone?
The InChIKey is AGHNCJHYLAPREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-16(23-7-2-3-8-23)4-9-22(10-5-16)15(25)14-12-21-24(13-14)11-6-17(18,19)20/h12-13H,2-11H2,1H3.
What are the key properties of (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone?
(4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone has a molecular weight of 358.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-pyrrolidin-1-ylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 136557534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).