N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C24H26F3N5O — CID 55596695

IUPACN-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c2C)n1
InChIInChI=1S/C24H26F3N5O/c1-14-11-15(2)29-23(28-14)32-17(4)20(16(3)30-32)12-22(33)31(19-9-10-19)13-18-7-5-6-8-21(18)24(25,26)27/h5-8,11,19H,9-10,12-13H2,1-4H3
InChIKeyCLTKAPPOUYQBFW-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.65
Rot. Bonds6

About N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55596695) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID55596695
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC NameN-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c2C)n1
InChIInChI=1S/C24H26F3N5O/c1-14-11-15(2)29-23(28-14)32-17(4)20(16(3)30-32)12-22(33)31(19-9-10-19)13-18-7-5-6-8-21(18)24(25,26)27/h5-8,11,19H,9-10,12-13H2,1-4H3
InChIKeyCLTKAPPOUYQBFW-UHFFFAOYSA-N
XLogP4.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 55596695) is N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c2C)n1.
What is the InChIKey of N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is CLTKAPPOUYQBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-14-11-15(2)29-23(28-14)32-17(4)20(16(3)30-32)12-22(33)31(19-9-10-19)13-18-7-5-6-8-21(18)24(25,26)27/h5-8,11,19H,9-10,12-13H2,1-4H3.
What are the key properties of N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 457.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55596695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).