N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C19H22F3N7O — CID 55433038

IUPACN-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H22F3N7O/c1-11-14(12(2)28-18(24-11)26-17(27-28)19(20,21)22)7-8-16(30)25-15-9-10-23-29(15)13-5-3-4-6-13/h9-10,13H,3-8H2,1-2H3,(H,25,30)
InChIKeyDZVFKYOSTBJALL-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.64
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 55433038) has the molecular formula C19H22F3N7O and a molecular weight of 421.43 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID55433038
Molecular FormulaC19H22F3N7O
Molecular Weight421.43 g/mol
Exact Mass421.18
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H22F3N7O/c1-11-14(12(2)28-18(24-11)26-17(27-28)19(20,21)22)7-8-16(30)25-15-9-10-23-29(15)13-5-3-4-6-13/h9-10,13H,3-8H2,1-2H3,(H,25,30)
InChIKeyDZVFKYOSTBJALL-UHFFFAOYSA-N
XLogP3.64
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 55433038) is N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is DZVFKYOSTBJALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O/c1-11-14(12(2)28-18(24-11)26-17(27-28)19(20,21)22)7-8-16(30)25-15-9-10-23-29(15)13-5-3-4-6-13/h9-10,13H,3-8H2,1-2H3,(H,25,30).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 421.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 55433038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).