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

C19H21ClF3N5O2 — CID 118022995

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)CC(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H21ClF3N5O2/c1-2-27(15-12-28(25-17(15)20)14-4-3-7-24-11-14)18(30)13-5-8-26(9-6-13)16(29)10-19(21,22)23/h3-4,7,11-13H,2,5-6,8-10H2,1H3
InChIKeyKFGNMYYTTDZKSO-UHFFFAOYSA-N
MW443.86 g/mol
LogP3.46
Rot. Bonds5

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

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide (PubChem CID 118022995) has the molecular formula C19H21ClF3N5O2 and a molecular weight of 443.86 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
PubChem CID118022995
Molecular FormulaC19H21ClF3N5O2
Molecular Weight443.86 g/mol
Exact Mass443.13
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)CC(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H21ClF3N5O2/c1-2-27(15-12-28(25-17(15)20)14-4-3-7-24-11-14)18(30)13-5-8-26(9-6-13)16(29)10-19(21,22)23/h3-4,7,11-13H,2,5-6,8-10H2,1H3
InChIKeyKFGNMYYTTDZKSO-UHFFFAOYSA-N
XLogP3.46
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 53.46
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-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide (CID 118022995) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)CC(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide?
The InChIKey is KFGNMYYTTDZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N5O2/c1-2-27(15-12-28(25-17(15)20)14-4-3-7-24-11-14)18(30)13-5-8-26(9-6-13)16(29)10-19(21,22)23/h3-4,7,11-13H,2,5-6,8-10H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide has a molecular weight of 443.86 g/mol, XLogP of 3.46, 5 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-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 118022995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).