N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H19F2N7O2 — CID 17021852

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ncn(Cc5ccccc5)n4)c3n2)cc1
InChIInChI=1S/C24H19F2N7O2/c1-35-17-9-7-16(8-10-17)19-11-20(21(25)26)33-22(29-19)18(12-28-33)23(34)30-24-27-14-32(31-24)13-15-5-3-2-4-6-15/h2-12,14,21H,13H2,1H3,(H,30,31,34)
InChIKeyIDJHAKQWALMIRS-UHFFFAOYSA-N
MW475.46 g/mol
LogP4.23
Rot. Bonds7

About N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 17021852) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID17021852
Molecular FormulaC24H19F2N7O2
Molecular Weight475.46 g/mol
Exact Mass475.16
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ncn(Cc5ccccc5)n4)c3n2)cc1
InChIInChI=1S/C24H19F2N7O2/c1-35-17-9-7-16(8-10-17)19-11-20(21(25)26)33-22(29-19)18(12-28-33)23(34)30-24-27-14-32(31-24)13-15-5-3-2-4-6-15/h2-12,14,21H,13H2,1H3,(H,30,31,34)
InChIKeyIDJHAKQWALMIRS-UHFFFAOYSA-N
XLogP4.23
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995539
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17382177
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460034
N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4230006
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416383
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094056
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995519
N-(1-benzylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19397593
N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995522
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
N-[4-(difluoromethoxy)-2-methylphenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447251

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 17021852) is N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ncn(Cc5ccccc5)n4)c3n2)cc1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IDJHAKQWALMIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c1-35-17-9-7-16(8-10-17)19-11-20(21(25)26)33-22(29-19)18(12-28-33)23(34)30-24-27-14-32(31-24)13-15-5-3-2-4-6-15/h2-12,14,21H,13H2,1H3,(H,30,31,34).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 17021852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).