1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide

C16H18F3N5O — CID 171993484

IUPAC1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(c3ccc(C(F)(F)F)nc3)C2)n1
InChIInChI=1S/C16H18F3N5O/c1-23-8-6-13(22-23)15(25)21-11-3-2-7-24(10-11)12-4-5-14(20-9-12)16(17,18)19/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,21,25)
InChIKeyUWHZJBJMGKBZPX-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.23
Rot. Bonds3

About 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide

1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 171993484) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID171993484
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(c3ccc(C(F)(F)F)nc3)C2)n1
InChIInChI=1S/C16H18F3N5O/c1-23-8-6-13(22-23)15(25)21-11-3-2-7-24(10-11)12-4-5-14(20-9-12)16(17,18)19/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,21,25)
InChIKeyUWHZJBJMGKBZPX-UHFFFAOYSA-N
XLogP2.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide 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-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide (CID 171993484) is 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCCN(c3ccc(C(F)(F)F)nc3)C2)n1.
What is the InChIKey of 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is UWHZJBJMGKBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-23-8-6-13(22-23)15(25)21-11-3-2-7-24(10-11)12-4-5-14(20-9-12)16(17,18)19/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide?
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 171993484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).