(5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C14H16F3N5O — CID 71926907

IUPAC(5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3cc(C(F)(F)F)n[nH]3)C2)n[nH]1
InChIInChI=1S/C14H16F3N5O/c1-8-5-11(20-18-8)13(23)22-4-2-3-9(7-22)10-6-12(21-19-10)14(15,16)17/h5-6,9H,2-4,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyCVCJHCLRXMYALX-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.48
Rot. Bonds2

About (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 71926907) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID71926907
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3cc(C(F)(F)F)n[nH]3)C2)n[nH]1
InChIInChI=1S/C14H16F3N5O/c1-8-5-11(20-18-8)13(23)22-4-2-3-9(7-22)10-6-12(21-19-10)14(15,16)17/h5-6,9H,2-4,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyCVCJHCLRXMYALX-UHFFFAOYSA-N
XLogP2.48
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-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 (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 71926907) is (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3cc(C(F)(F)F)n[nH]3)C2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is CVCJHCLRXMYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8-5-11(20-18-8)13(23)22-4-2-3-9(7-22)10-6-12(21-19-10)14(15,16)17/h5-6,9H,2-4,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 327.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71926907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).