5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H20F3N5O2 — CID 19449337

IUPAC5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCCN3CCOCC3)cc2n1
InChIInChI=1S/C16H20F3N5O2/c1-11-9-13(16(17,18)19)24-14(21-11)10-12(22-24)15(25)20-3-2-4-23-5-7-26-8-6-23/h9-10H,2-8H2,1H3,(H,20,25)
InChIKeyGULQZJXMISHRNV-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.51
Rot. Bonds5

About 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449337) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449337
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCCN3CCOCC3)cc2n1
InChIInChI=1S/C16H20F3N5O2/c1-11-9-13(16(17,18)19)24-14(21-11)10-12(22-24)15(25)20-3-2-4-23-5-7-26-8-6-23/h9-10H,2-8H2,1H3,(H,20,25)
InChIKeyGULQZJXMISHRNV-UHFFFAOYSA-N
XLogP1.51
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

(5-Cyclopropyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-piperidin-1-yl)-methanone
CID 1164878
5-Cyclopropyl-7-(difluoromethyl)-2-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2235220
5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 842867
Piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135300269
7-[(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56892943
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 671633
8-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50983865
N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50974143
6-methyl-2-(morpholin-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrimidine-4-carboxamide
CID 56731236
5,7-dimethyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56752808
5-cyclopropyl-N-(tetrahydro-2-furanylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982069
N-(2-morpholin-4-ylethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1100833

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449337) is 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NCCCN3CCOCC3)cc2n1.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GULQZJXMISHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-11-9-13(16(17,18)19)24-14(21-11)10-12(22-24)15(25)20-3-2-4-23-5-7-26-8-6-23/h9-10H,2-8H2,1H3,(H,20,25).
What are the key properties of 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).