(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone

C13H12ClF3N4O2 — CID 95476981

IUPAC(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCO[C@@H](C(F)(F)F)C3)nn2c1
InChIInChI=1S/C13H12ClF3N4O2/c1-7-4-18-11-9(14)10(19-21(11)5-7)12(22)20-2-3-23-8(6-20)13(15,16)17/h4-5,8H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyWVKWLVPHWPAWGZ-MRVPVSSYSA-N
MW348.71 g/mol
LogP2.09
Rot. Bonds1

About (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 95476981) has the molecular formula C13H12ClF3N4O2 and a molecular weight of 348.71 g/mol. Its IUPAC name is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID95476981
Molecular FormulaC13H12ClF3N4O2
Molecular Weight348.71 g/mol
Exact Mass348.06
IUPAC Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCO[C@@H](C(F)(F)F)C3)nn2c1
InChIInChI=1S/C13H12ClF3N4O2/c1-7-4-18-11-9(14)10(19-21(11)5-7)12(22)20-2-3-23-8(6-20)13(15,16)17/h4-5,8H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyWVKWLVPHWPAWGZ-MRVPVSSYSA-N
XLogP2.09
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 95476981) is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone is Cc1cnc2c(Cl)c(C(=O)N3CCO[C@@H](C(F)(F)F)C3)nn2c1.
What is the InChIKey of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is WVKWLVPHWPAWGZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O2/c1-7-4-18-11-9(14)10(19-21(11)5-7)12(22)20-2-3-23-8(6-20)13(15,16)17/h4-5,8H,2-3,6H2,1H3/t8-/m1/s1.
What are the key properties of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 348.71 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95476981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).