2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H17F3N4O2 — CID 38797108

IUPAC2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCc3ccc(OCC(F)(F)F)cc3)c(C)n2n1
InChIInChI=1S/C18H17F3N4O2/c1-11-7-16-22-9-15(12(2)25(16)24-11)17(26)23-8-13-3-5-14(6-4-13)27-10-18(19,20)21/h3-7,9H,8,10H2,1-2H3,(H,23,26)
InChIKeyMTOMXGNQZWBFOJ-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.22
Rot. Bonds5

About 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 38797108) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID38797108
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCc3ccc(OCC(F)(F)F)cc3)c(C)n2n1
InChIInChI=1S/C18H17F3N4O2/c1-11-7-16-22-9-15(12(2)25(16)24-11)17(26)23-8-13-3-5-14(6-4-13)27-10-18(19,20)21/h3-7,9H,8,10H2,1-2H3,(H,23,26)
InChIKeyMTOMXGNQZWBFOJ-UHFFFAOYSA-N
XLogP3.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 38797108) is 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NCc3ccc(OCC(F)(F)F)cc3)c(C)n2n1.
What is the InChIKey of 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MTOMXGNQZWBFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-11-7-16-22-9-15(12(2)25(16)24-11)17(26)23-8-13-3-5-14(6-4-13)27-10-18(19,20)21/h3-7,9H,8,10H2,1-2H3,(H,23,26).
What are the key properties of 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 38797108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).