KMULLCONHRCMNR-UHFFFAOYSA-N

Name: KMULLCONHRCMNR-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₁ClF₃N₅O₂ — CID 118023579

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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

SMILESCCN(C(=O)C1CCCN(C(=O)CC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl

InChIInChI=1S/C19H21ClF3N5O2/c1-2-27(15-12-28(25-17(15)20)14-6-3-7-24-10-14)18(30)13-5-4-8-26(11-13)16(29)9-19(21,22)23/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3

InChIKeyKMULLCONHRCMNR-UHFFFAOYSA-N

MW443.86 g/mol

LogP3.46

Rot. Bonds5

About KMULLCONHRCMNR-UHFFFAOYSA-N

KMULLCONHRCMNR-UHFFFAOYSA-N (PubChem CID 118023579) 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-3-carboxamide.

Molecular Properties

Compound Name	KMULLCONHRCMNR-UHFFFAOYSA-N
PubChem CID	118023579
Molecular Formula	C₁₉H₂₁ClF₃N₅O₂
Molecular Weight	443.86 g/mol
Exact Mass	443.13
IUPAC Name	N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
SMILES	CCN(C(=O)C1CCCN(C(=O)CC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl
InChI	InChI=1S/C19H21ClF3N5O2/c1-2-27(15-12-28(25-17(15)20)14-6-3-7-24-10-14)18(30)13-5-4-8-26(11-13)16(29)9-19(21,22)23/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3
InChIKey	KMULLCONHRCMNR-UHFFFAOYSA-N
XLogP	3.46
TPSA	71.33 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.86
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of KMULLCONHRCMNR-UHFFFAOYSA-N?

The IUPAC name of KMULLCONHRCMNR-UHFFFAOYSA-N (CID 118023579) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide.

What is the SMILES notation for KMULLCONHRCMNR-UHFFFAOYSA-N?

The canonical SMILES for KMULLCONHRCMNR-UHFFFAOYSA-N is CCN(C(=O)C1CCCN(C(=O)CC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of KMULLCONHRCMNR-UHFFFAOYSA-N?

The InChIKey is KMULLCONHRCMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N5O2/c1-2-27(15-12-28(25-17(15)20)14-6-3-7-24-10-14)18(30)13-5-4-8-26(11-13)16(29)9-19(21,22)23/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3.

What are the key properties of KMULLCONHRCMNR-UHFFFAOYSA-N?

KMULLCONHRCMNR-UHFFFAOYSA-N 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 KMULLCONHRCMNR-UHFFFAOYSA-N is sourced from PubChem (CID 118023579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118023579 — identifiers, structure, computed properties (public domain)

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