N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide

C18H20F3N5O2 — CID 43064110

IUPACN-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)CC1
InChIInChI=1S/C18H20F3N5O2/c1-11-14(17(28)25-7-5-12(6-8-25)16(27)22-2)10-24-26(11)15-4-3-13(9-23-15)18(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3,(H,22,27)
InChIKeyKZCLUEUHPNCRCL-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.19
Rot. Bonds3

About N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide

N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 43064110) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID43064110
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC NameN-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)CC1
InChIInChI=1S/C18H20F3N5O2/c1-11-14(17(28)25-7-5-12(6-8-25)16(27)22-2)10-24-26(11)15-4-3-13(9-23-15)18(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3,(H,22,27)
InChIKeyKZCLUEUHPNCRCL-UHFFFAOYSA-N
XLogP2.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide (CID 43064110) is N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)CC1.
What is the InChIKey of N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is KZCLUEUHPNCRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-11-14(17(28)25-7-5-12(6-8-25)16(27)22-2)10-24-26(11)15-4-3-13(9-23-15)18(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3,(H,22,27).
What are the key properties of N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide?
N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 43064110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).