N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide

C13H12ClF3N4O — CID 69259975

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide
SMILESO=C(CCCC(F)(F)F)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C13H12ClF3N4O/c14-12-10(19-11(22)4-1-5-13(15,16)17)8-21(20-12)9-3-2-6-18-7-9/h2-3,6-8H,1,4-5H2,(H,19,22)
InChIKeyDOLARJISUWILHT-UHFFFAOYSA-N
MW332.71 g/mol
LogP3.59
Rot. Bonds5

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide (PubChem CID 69259975) has the molecular formula C13H12ClF3N4O and a molecular weight of 332.71 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide
PubChem CID69259975
Molecular FormulaC13H12ClF3N4O
Molecular Weight332.71 g/mol
Exact Mass332.07
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide
SMILESO=C(CCCC(F)(F)F)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C13H12ClF3N4O/c14-12-10(19-11(22)4-1-5-13(15,16)17)8-21(20-12)9-3-2-6-18-7-9/h2-3,6-8H,1,4-5H2,(H,19,22)
InChIKeyDOLARJISUWILHT-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide (CID 69259975) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide is O=C(CCCC(F)(F)F)Nc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide?
The InChIKey is DOLARJISUWILHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O/c14-12-10(19-11(22)4-1-5-13(15,16)17)8-21(20-12)9-3-2-6-18-7-9/h2-3,6-8H,1,4-5H2,(H,19,22).
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide has a molecular weight of 332.71 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-5,5,5-trifluoropentanamide is sourced from PubChem (CID 69259975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).