N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide

C15H15ClF3N5O2 — CID 118023825

IUPACN-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide
SMILESCCN(C(=O)CNC(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H15ClF3N5O2/c1-2-23(13(26)8-21-12(25)6-15(17,18)19)11-9-24(22-14(11)16)10-4-3-5-20-7-10/h3-5,7,9H,2,6,8H2,1H3,(H,21,25)
InChIKeyOLGYDOISSIHYBQ-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.34
Rot. Bonds6

About N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide

N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide (PubChem CID 118023825) has the molecular formula C15H15ClF3N5O2 and a molecular weight of 389.77 g/mol. Its IUPAC name is N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide
PubChem CID118023825
Molecular FormulaC15H15ClF3N5O2
Molecular Weight389.77 g/mol
Exact Mass389.09
IUPAC NameN-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide
SMILESCCN(C(=O)CNC(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H15ClF3N5O2/c1-2-23(13(26)8-21-12(25)6-15(17,18)19)11-9-24(22-14(11)16)10-4-3-5-20-7-10/h3-5,7,9H,2,6,8H2,1H3,(H,21,25)
InChIKeyOLGYDOISSIHYBQ-UHFFFAOYSA-N
XLogP2.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide (CID 118023825) is N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide is CCN(C(=O)CNC(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide?
The InChIKey is OLGYDOISSIHYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5O2/c1-2-23(13(26)8-21-12(25)6-15(17,18)19)11-9-24(22-14(11)16)10-4-3-5-20-7-10/h3-5,7,9H,2,6,8H2,1H3,(H,21,25).
What are the key properties of N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide?
N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide has a molecular weight of 389.77 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-oxoethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 118023825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).