N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C23H20F3N5O2 — CID 126740685

IUPACN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESN#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(OCC(F)(F)F)c(C4CC4)c3)n2)nc1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)14-33-20-6-2-15(9-19(20)17-3-4-17)10-22(32)29-21-7-8-31(30-21)13-18-5-1-16(11-27)12-28-18/h1-2,5-9,12,17H,3-4,10,13-14H2,(H,29,30,32)
InChIKeyJPVCDZQHFUJYPI-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.20
Rot. Bonds8

About N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 126740685) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID126740685
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC NameN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESN#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(OCC(F)(F)F)c(C4CC4)c3)n2)nc1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)14-33-20-6-2-15(9-19(20)17-3-4-17)10-22(32)29-21-7-8-31(30-21)13-18-5-1-16(11-27)12-28-18/h1-2,5-9,12,17H,3-4,10,13-14H2,(H,29,30,32)
InChIKeyJPVCDZQHFUJYPI-UHFFFAOYSA-N
XLogP4.20
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 126740685) is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide is N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(OCC(F)(F)F)c(C4CC4)c3)n2)nc1.
What is the InChIKey of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is JPVCDZQHFUJYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)14-33-20-6-2-15(9-19(20)17-3-4-17)10-22(32)29-21-7-8-31(30-21)13-18-5-1-16(11-27)12-28-18/h1-2,5-9,12,17H,3-4,10,13-14H2,(H,29,30,32).
What are the key properties of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 455.44 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 126740685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).