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

C22H18F3N5O — CID 175827130

IUPAC2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESN#Cc1ccc(Cn2ccc(C(C(N)=O)c3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)16-4-2-15(3-5-16)19(20(27)31)18-7-10-30(29-18)13-17-6-1-14(11-26)12-28-17/h1-7,10,12,19H,8-9,13H2,(H2,27,31)
InChIKeyBEXFBIFJUBCZML-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.41
Rot. Bonds6

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

2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 175827130) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
PubChem CID175827130
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESN#Cc1ccc(Cn2ccc(C(C(N)=O)c3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)16-4-2-15(3-5-16)19(20(27)31)18-7-10-30(29-18)13-17-6-1-14(11-26)12-28-17/h1-7,10,12,19H,8-9,13H2,(H2,27,31)
InChIKeyBEXFBIFJUBCZML-UHFFFAOYSA-N
XLogP3.41
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide
CID 174835235
2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 174835305
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 175984618
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide
CID 170649386
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740685
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 118560580
CID 170619181
CID 170619181
6-(aminooxymethyl)pyridine-3-carbonitrile
CID 59479137
(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
CID 154635625
6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 167971641
2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 150538072
2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-3-[(5-cyano-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 154635697

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (CID 175827130) is 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is N#Cc1ccc(Cn2ccc(C(C(N)=O)c3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1.
What is the InChIKey of 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The InChIKey is BEXFBIFJUBCZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)16-4-2-15(3-5-16)19(20(27)31)18-7-10-30(29-18)13-17-6-1-14(11-26)12-28-17/h1-7,10,12,19H,8-9,13H2,(H2,27,31).
What are the key properties of 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 425.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 175827130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).