N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide

C16H19ClFN5O2 — CID 118023497

IUPACN'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide
SMILESCCN(C(=O)CCC(=O)NCCF)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C16H19ClFN5O2/c1-2-22(15(25)6-5-14(24)20-9-7-18)13-11-23(21-16(13)17)12-4-3-8-19-10-12/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,20,24)
InChIKeyZFOQOMWSFBDLOH-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.14
Rot. Bonds8

About N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide

N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide (PubChem CID 118023497) has the molecular formula C16H19ClFN5O2 and a molecular weight of 367.81 g/mol. Its IUPAC name is N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide.

Molecular Properties

Compound NameN'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide
PubChem CID118023497
Molecular FormulaC16H19ClFN5O2
Molecular Weight367.81 g/mol
Exact Mass367.12
IUPAC NameN'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide
SMILESCCN(C(=O)CCC(=O)NCCF)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C16H19ClFN5O2/c1-2-22(15(25)6-5-14(24)20-9-7-18)13-11-23(21-16(13)17)12-4-3-8-19-10-12/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,20,24)
InChIKeyZFOQOMWSFBDLOH-UHFFFAOYSA-N
XLogP2.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-N-(2-fluoroethyl)butanediamide?
The IUPAC name of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide (CID 118023497) is N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide.
What is the SMILES notation for N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide?
The canonical SMILES for N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide is CCN(C(=O)CCC(=O)NCCF)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide?
The InChIKey is ZFOQOMWSFBDLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O2/c1-2-22(15(25)6-5-14(24)20-9-7-18)13-11-23(21-16(13)17)12-4-3-8-19-10-12/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,20,24).
What are the key properties of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide?
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N'-ethyl-N-(2-fluoroethyl)butanediamide has a molecular weight of 367.81 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 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-N-(2-fluoroethyl)butanediamide is sourced from PubChem (CID 118023497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).