N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H11Br2F3N4O — CID 3123077

IUPACN,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C20H11Br2F3N4O/c21-12-3-1-11(2-4-12)16-9-17(20(23,24)25)29-18(28-16)15(10-26-29)19(30)27-14-7-5-13(22)6-8-14/h1-10H,(H,27,30)
InChIKeyPSIZQJWRXXUYCN-UHFFFAOYSA-N
MW540.14 g/mol
LogP6.19
Rot. Bonds3

About N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3123077) has the molecular formula C20H11Br2F3N4O and a molecular weight of 540.14 g/mol. Its IUPAC name is N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3123077
Molecular FormulaC20H11Br2F3N4O
Molecular Weight540.14 g/mol
Exact Mass537.93
IUPAC NameN,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C20H11Br2F3N4O/c21-12-3-1-11(2-4-12)16-9-17(20(23,24)25)29-18(28-16)15(10-26-29)19(30)27-14-7-5-13(22)6-8-14/h1-10H,(H,27,30)
InChIKeyPSIZQJWRXXUYCN-UHFFFAOYSA-N
XLogP6.19
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.14
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1046587
N-(5-bromo-2-hydroxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2237046
N-(4-cyanophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113903
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19404106
N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793938
N-(3-chlorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298665
N-(2-methylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122174343
N-(2,4-difluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298807
N-(4-acetylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2872128
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111024
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585073

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3123077) is N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12.
What is the InChIKey of N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PSIZQJWRXXUYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Br2F3N4O/c21-12-3-1-11(2-4-12)16-9-17(20(23,24)25)29-18(28-16)15(10-26-29)19(30)27-14-7-5-13(22)6-8-14/h1-10H,(H,27,30).
What are the key properties of N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 540.14 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3123077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).