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

C15H16F3N5O — CID 75448723

IUPACN-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)13-5-9-23(21-13)12-3-7-22(8-4-12)14(24)20-11-2-1-6-19-10-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,20,24)
InChIKeyQZHGAPSMNCQBMQ-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.17
Rot. Bonds2

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

N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 75448723) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID75448723
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC NameN-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)13-5-9-23(21-13)12-3-7-22(8-4-12)14(24)20-11-2-1-6-19-10-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,20,24)
InChIKeyQZHGAPSMNCQBMQ-UHFFFAOYSA-N
XLogP3.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 75448723) is N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is O=C(Nc1cccnc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is QZHGAPSMNCQBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)13-5-9-23(21-13)12-3-7-22(8-4-12)14(24)20-11-2-1-6-19-10-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,20,24).
What are the key properties of N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75448723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).