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

C23H19F3N4O — CID 174835305

IUPAC2-[1-[(4-cyanophenyl)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)cc1
InChIInChI=1S/C23H19F3N4O/c24-23(25,26)22(10-11-22)18-7-5-17(6-8-18)20(21(28)31)19-9-12-30(29-19)14-16-3-1-15(13-27)2-4-16/h1-9,12,20H,10-11,14H2,(H2,28,31)
InChIKeyRYQGPYXAVNPPFF-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.01
Rot. Bonds6

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

2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 174835305) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
PubChem CID174835305
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name2-[1-[(4-cyanophenyl)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)cc1
InChIInChI=1S/C23H19F3N4O/c24-23(25,26)22(10-11-22)18-7-5-17(6-8-18)20(21(28)31)19-9-12-30(29-19)14-16-3-1-15(13-27)2-4-16/h1-9,12,20H,10-11,14H2,(H2,28,31)
InChIKeyRYQGPYXAVNPPFF-UHFFFAOYSA-N
XLogP4.01
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 175827130
2-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-(1-methylcyclopropyl)phenyl]acetamide
CID 174835235
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2,2-dideuterio-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 175984618
1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964591
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide
CID 170649386
2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide
CID 174835238
N-[(1R)-2-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
CID 171344020
4-[[4-(2-hydroxyacetyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzonitrile
CID 162597912
2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 75446821
N'-hydroxy-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 76913324
4-[(4-oxopiperidin-1-yl)methyl]benzonitrile
CID 10921862
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetic acid
CID 43396853

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of 2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (CID 174835305) is 2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for 2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for 2-[1-[(4-cyanophenyl)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)cc1.
What is the InChIKey of 2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The InChIKey is RYQGPYXAVNPPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c24-23(25,26)22(10-11-22)18-7-5-17(6-8-18)20(21(28)31)19-9-12-30(29-19)14-16-3-1-15(13-27)2-4-16/h1-9,12,20H,10-11,14H2,(H2,28,31).
What are the key properties of 2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 424.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 174835305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).