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

C13H12ClF3N4O2 — CID 56865116

IUPAC(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCOC(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
InChIKeyWVKWLVPHWPAWGZ-UHFFFAOYSA-N
MW348.71 g/mol
LogP2.09
Rot. Bonds1

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

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56865116) 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)-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56865116
Molecular FormulaC13H12ClF3N4O2
Molecular Weight348.71 g/mol
Exact Mass348.06
IUPAC Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCOC(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
InChIKeyWVKWLVPHWPAWGZ-UHFFFAOYSA-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

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Related Compounds

3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980781
Pyrazolo[1,5-a]pyrimidine, 2-(4-morpholyl)carbonyl-3,6-dibromo-
CID 559943
(6-Bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 840787
3-chloro-N-[cis-4-(cyclopropylmethoxy)tetrahydro-2H-pyran-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91791233
2-[(3-Chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 50985566
3-Chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-isopropyl-6-methylpyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 77086511
(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95137677
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 95722359
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 99928205
3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 99943078
3-chloro-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 99961088
3-chloro-N-ethyl-N-[trans-4-hydroxytetrahydrofuran-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118795094

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56865116) is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is Cc1cnc2c(Cl)c(C(=O)N3CCOC(C(F)(F)F)C3)nn2c1.
What is the InChIKey of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is WVKWLVPHWPAWGZ-UHFFFAOYSA-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.
What are the key properties of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[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)-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56865116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).