[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone

C22H20Cl2F3N5O — CID 19441457

IUPAC[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H20Cl2F3N5O/c23-16-2-1-3-17(24)15(16)12-30-6-8-31(9-7-30)21(33)14-11-28-32-19(22(25,26)27)10-18(13-4-5-13)29-20(14)32/h1-3,10-11,13H,4-9,12H2
InChIKeyZHNRHZDGLQDTEX-UHFFFAOYSA-N
MW498.34 g/mol
LogP4.89
Rot. Bonds4

About [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone

[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19441457) has the molecular formula C22H20Cl2F3N5O and a molecular weight of 498.34 g/mol. Its IUPAC name is [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19441457
Molecular FormulaC22H20Cl2F3N5O
Molecular Weight498.34 g/mol
Exact Mass497.10
IUPAC Name[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H20Cl2F3N5O/c23-16-2-1-3-17(24)15(16)12-30-6-8-31(9-7-30)21(33)14-11-28-32-19(22(25,26)27)10-18(13-4-5-13)29-20(14)32/h1-3,10-11,13H,4-9,12H2
InChIKeyZHNRHZDGLQDTEX-UHFFFAOYSA-N
XLogP4.89
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19441459
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19441455
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441460
5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451435
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572461
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 1256831
[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19441656
5-cyclopropyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449681
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451385
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19441587
[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 15998029
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 19329488

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone (CID 19441457) is [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZHNRHZDGLQDTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F3N5O/c23-16-2-1-3-17(24)15(16)12-30-6-8-31(9-7-30)21(33)14-11-28-32-19(22(25,26)27)10-18(13-4-5-13)29-20(14)32/h1-3,10-11,13H,4-9,12H2.
What are the key properties of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone?
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 498.34 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19441457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).