N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H15F2N5O2 — CID 995522

IUPACN-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C#N)cc4)c3n2)cc1
InChIInChI=1S/C22H15F2N5O2/c1-31-16-8-4-14(5-9-16)18-10-19(20(23)24)29-21(28-18)17(12-26-29)22(30)27-15-6-2-13(11-25)3-7-15/h2-10,12,20H,1H3,(H,27,30)
InChIKeyJYCVCVAWTABLPY-UHFFFAOYSA-N
MW419.39 g/mol
LogP4.47
Rot. Bonds5

About N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995522) has the molecular formula C22H15F2N5O2 and a molecular weight of 419.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995522
Molecular FormulaC22H15F2N5O2
Molecular Weight419.39 g/mol
Exact Mass419.12
IUPAC NameN-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C#N)cc4)c3n2)cc1
InChIInChI=1S/C22H15F2N5O2/c1-31-16-8-4-14(5-9-16)18-10-19(20(23)24)29-21(28-18)17(12-26-29)22(30)27-15-6-2-13(11-25)3-7-15/h2-10,12,20H,1H3,(H,27,30)
InChIKeyJYCVCVAWTABLPY-UHFFFAOYSA-N
XLogP4.47
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995519
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-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17382177
N-(4-cyanophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113903
7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-methylpent-1-yn-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4916166
N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17021852
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995539
7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3567865
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995554
7-(difluoromethyl)-N-(3-hydroxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447322

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995522) is N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C#N)cc4)c3n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JYCVCVAWTABLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O2/c1-31-16-8-4-14(5-9-16)18-10-19(20(23)24)29-21(28-18)17(12-26-29)22(30)27-15-6-2-13(11-25)3-7-15/h2-10,12,20H,1H3,(H,27,30).
What are the key properties of N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 419.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).