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

C20H19F5N4O2 — CID 19466300

IUPAC5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)c(OC(F)F)c1
InChIInChI=1S/C20H19F5N4O2/c1-10-5-6-11(13(7-10)31-18(21)22)26-17(30)12-8-16-27-14(19(2,3)4)9-15(20(23,24)25)29(16)28-12/h5-9,18H,1-4H3,(H,26,30)
InChIKeyQTCXOLBIDDBCOJ-UHFFFAOYSA-N
MW442.39 g/mol
LogP5.21
Rot. Bonds4

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

5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466300) has the molecular formula C20H19F5N4O2 and a molecular weight of 442.39 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19466300
Molecular FormulaC20H19F5N4O2
Molecular Weight442.39 g/mol
Exact Mass442.14
IUPAC Name5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)c(OC(F)F)c1
InChIInChI=1S/C20H19F5N4O2/c1-10-5-6-11(13(7-10)31-18(21)22)26-17(30)12-8-16-27-14(19(2,3)4)9-15(20(23,24)25)29(16)28-12/h5-9,18H,1-4H3,(H,26,30)
InChIKeyQTCXOLBIDDBCOJ-UHFFFAOYSA-N
XLogP5.21
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449408
7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458070
N-[2-(difluoromethoxy)-5-methylphenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4773219
5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466188
5-tert-butyl-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466160
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
5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466414
4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481621
7-[chloro(difluoro)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458101
5-tert-butyl-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466436
methyl 2-[[5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 19466239

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466300) is 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(NC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)c(OC(F)F)c1.
What is the InChIKey of 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QTCXOLBIDDBCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O2/c1-10-5-6-11(13(7-10)31-18(21)22)26-17(30)12-8-16-27-14(19(2,3)4)9-15(20(23,24)25)29(16)28-12/h5-9,18H,1-4H3,(H,26,30).
What are the key properties of 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 442.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).