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

C17H13F5N4O2 — CID 19449408

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)c(OC(F)F)c1
InChIInChI=1S/C17H13F5N4O2/c1-8-3-4-10(12(5-8)28-16(18)19)24-15(27)11-7-14-23-9(2)6-13(17(20,21)22)26(14)25-11/h3-7,16H,1-2H3,(H,24,27)
InChIKeyFANZVLXITOVSAY-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.22
Rot. Bonds4

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

N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449408) has the molecular formula C17H13F5N4O2 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449408
Molecular FormulaC17H13F5N4O2
Molecular Weight400.31 g/mol
Exact Mass400.10
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)c(OC(F)F)c1
InChIInChI=1S/C17H13F5N4O2/c1-8-3-4-10(12(5-8)28-16(18)19)24-15(27)11-7-14-23-9(2)6-13(17(20,21)22)26(14)25-11/h3-7,16H,1-2H3,(H,24,27)
InChIKeyFANZVLXITOVSAY-UHFFFAOYSA-N
XLogP4.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458070
5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466300
N-[2-(difluoromethoxy)-5-methylphenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4773219
7-[chloro(difluoro)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458101
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449472
N-[4-(difluoromethoxy)-2-methylphenyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453446
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1370414
N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449429
4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481621
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457762
5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19916014
4-bromo-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268276

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449408) is N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FANZVLXITOVSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N4O2/c1-8-3-4-10(12(5-8)28-16(18)19)24-15(27)11-7-14-23-9(2)6-13(17(20,21)22)26(14)25-11/h3-7,16H,1-2H3,(H,24,27).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 400.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).