N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide

C16H18F3N5O — CID 118450787

IUPACN-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H18F3N5O/c1-20-15(25)11-3-6-23(7-4-11)14-9-21-5-2-13(14)24-10-12(8-22-24)16(17,18)19/h2,5,8-11H,3-4,6-7H2,1H3,(H,20,25)
InChIKeyBYAVDTSETANBQS-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide

N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 118450787) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
PubChem CID118450787
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H18F3N5O/c1-20-15(25)11-3-6-23(7-4-11)14-9-21-5-2-13(14)24-10-12(8-22-24)16(17,18)19/h2,5,8-11H,3-4,6-7H2,1H3,(H,20,25)
InChIKeyBYAVDTSETANBQS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide (CID 118450787) is N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide is CNC(=O)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is BYAVDTSETANBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-20-15(25)11-3-6-23(7-4-11)14-9-21-5-2-13(14)24-10-12(8-22-24)16(17,18)19/h2,5,8-11H,3-4,6-7H2,1H3,(H,20,25).
What are the key properties of N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118450787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).