5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H15F3N6O — CID 19916014

IUPAC5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc(-n4ccnc4C)cc3)cc2n1
InChIInChI=1S/C19H15F3N6O/c1-11-9-16(19(20,21)22)28-17(24-11)10-15(26-28)18(29)25-13-3-5-14(6-4-13)27-8-7-23-12(27)2/h3-10H,1-2H3,(H,25,29)
InChIKeyCKLNCUUGJCSBPI-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.80
Rot. Bonds3

About 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19916014) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19916014
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc(-n4ccnc4C)cc3)cc2n1
InChIInChI=1S/C19H15F3N6O/c1-11-9-16(19(20,21)22)28-17(24-11)10-15(26-28)18(29)25-13-3-5-14(6-4-13)27-8-7-23-12(27)2/h3-10H,1-2H3,(H,25,29)
InChIKeyCKLNCUUGJCSBPI-UHFFFAOYSA-N
XLogP3.80
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19916014) is 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc(-n4ccnc4C)cc3)cc2n1.
What is the InChIKey of 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CKLNCUUGJCSBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-11-9-16(19(20,21)22)28-17(24-11)10-15(26-28)18(29)25-13-3-5-14(6-4-13)27-8-7-23-12(27)2/h3-10H,1-2H3,(H,25,29).
What are the key properties of 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19916014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).