[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H24F3N3O — CID 57399514

IUPAC[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCCn1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C20H24F3N3O/c1-2-8-26-13-15(11-24-26)12-25-9-4-6-17(14-25)19(27)16-5-3-7-18(10-16)20(21,22)23/h3,5,7,10-11,13,17H,2,4,6,8-9,12,14H2,1H3
InChIKeyMUDSFHMGAXMJTN-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.41
Rot. Bonds6

About [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 57399514) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID57399514
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCCn1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C20H24F3N3O/c1-2-8-26-13-15(11-24-26)12-25-9-4-6-17(14-25)19(27)16-5-3-7-18(10-16)20(21,22)23/h3,5,7,10-11,13,17H,2,4,6,8-9,12,14H2,1H3
InChIKeyMUDSFHMGAXMJTN-UHFFFAOYSA-N
XLogP4.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]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 [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 57399514) is [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is CCCn1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is MUDSFHMGAXMJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-2-8-26-13-15(11-24-26)12-25-9-4-6-17(14-25)19(27)16-5-3-7-18(10-16)20(21,22)23/h3,5,7,10-11,13,17H,2,4,6,8-9,12,14H2,1H3.
What are the key properties of [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 379.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 57399514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).