N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C18H19ClF3N5O2 — CID 118022936

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H19ClF3N5O2/c1-2-26(14-11-27(24-15(14)19)13-4-3-7-23-10-13)16(28)12-5-8-25(9-6-12)17(29)18(20,21)22/h3-4,7,10-12H,2,5-6,8-9H2,1H3
InChIKeyYXGALFYKASLKEC-UHFFFAOYSA-N
MW429.83 g/mol
LogP3.07
Rot. Bonds4

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 118022936) has the molecular formula C18H19ClF3N5O2 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID118022936
Molecular FormulaC18H19ClF3N5O2
Molecular Weight429.83 g/mol
Exact Mass429.12
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H19ClF3N5O2/c1-2-26(14-11-27(24-15(14)19)13-4-3-7-23-10-13)16(28)12-5-8-25(9-6-12)17(29)18(20,21)22/h3-4,7,10-12H,2,5-6,8-9H2,1H3
InChIKeyYXGALFYKASLKEC-UHFFFAOYSA-N
XLogP3.07
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 118022936) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is YXGALFYKASLKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N5O2/c1-2-26(14-11-27(24-15(14)19)13-4-3-7-23-10-13)16(28)12-5-8-25(9-6-12)17(29)18(20,21)22/h3-4,7,10-12H,2,5-6,8-9H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 429.83 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 118022936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).