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

C22H17F3N4O2 — CID 1101574

IUPACN-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C22H17F3N4O2/c1-31-16-9-7-14(8-10-16)13-26-21(30)18-12-20-27-17(15-5-3-2-4-6-15)11-19(22(23,24)25)29(20)28-18/h2-12H,13H2,1H3,(H,26,30)
InChIKeyCICSRYXZHFHCDH-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.35
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1101574) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1101574
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C22H17F3N4O2/c1-31-16-9-7-14(8-10-16)13-26-21(30)18-12-20-27-17(15-5-3-2-4-6-15)11-19(22(23,24)25)29(20)28-18/h2-12H,13H2,1H3,(H,26,30)
InChIKeyCICSRYXZHFHCDH-UHFFFAOYSA-N
XLogP4.35
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1101574) is N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(CNC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CICSRYXZHFHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-31-16-9-7-14(8-10-16)13-26-21(30)18-12-20-27-17(15-5-3-2-4-6-15)11-19(22(23,24)25)29(20)28-18/h2-12H,13H2,1H3,(H,26,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1101574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).