N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H18F4N6O — CID 44524055

IUPACN-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3cncn3Cc3ccc(F)cc3)cc2n1
InChIInChI=1S/C21H18F4N6O/c1-13-7-18(21(23,24)25)31-19(27-13)8-17(28-31)20(32)29(2)11-16-9-26-12-30(16)10-14-3-5-15(22)6-4-14/h3-9,12H,10-11H2,1-2H3
InChIKeyUXRTVUOLVDVEIL-UHFFFAOYSA-N
MW446.41 g/mol
LogP3.71
Rot. Bonds5

About N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44524055) has the molecular formula C21H18F4N6O and a molecular weight of 446.41 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44524055
Molecular FormulaC21H18F4N6O
Molecular Weight446.41 g/mol
Exact Mass446.15
IUPAC NameN-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3cncn3Cc3ccc(F)cc3)cc2n1
InChIInChI=1S/C21H18F4N6O/c1-13-7-18(21(23,24)25)31-19(27-13)8-17(28-31)20(32)29(2)11-16-9-26-12-30(16)10-14-3-5-15(22)6-4-14/h3-9,12H,10-11H2,1-2H3
InChIKeyUXRTVUOLVDVEIL-UHFFFAOYSA-N
XLogP3.71
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 44524055) is N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3cncn3Cc3ccc(F)cc3)cc2n1.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UXRTVUOLVDVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6O/c1-13-7-18(21(23,24)25)31-19(27-13)8-17(28-31)20(32)29(2)11-16-9-26-12-30(16)10-14-3-5-15(22)6-4-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 446.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44524055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).