N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C33H34N4O2 — CID 46079932

IUPACN-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n3nc(C(C)(C)C)cc3n2)cc1
InChIInChI=1S/C33H34N4O2/c1-33(2,3)30-22-31-34-28(26-15-17-27(39-4)18-16-26)21-29(37(31)35-30)32(38)36(23-25-13-9-6-10-14-25)20-19-24-11-7-5-8-12-24/h5-18,21-22H,19-20,23H2,1-4H3
InChIKeyKTSOYKBQCLNLQL-UHFFFAOYSA-N
MW518.66 g/mol
LogP6.59
Rot. Bonds8

About N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079932) has the molecular formula C33H34N4O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46079932
Molecular FormulaC33H34N4O2
Molecular Weight518.66 g/mol
Exact Mass518.27
IUPAC NameN-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n3nc(C(C)(C)C)cc3n2)cc1
InChIInChI=1S/C33H34N4O2/c1-33(2,3)30-22-31-34-28(26-15-17-27(39-4)18-16-26)21-29(37(31)35-30)32(38)36(23-25-13-9-6-10-14-25)20-19-24-11-7-5-8-12-24/h5-18,21-22H,19-20,23H2,1-4H3
InChIKeyKTSOYKBQCLNLQL-UHFFFAOYSA-N
XLogP6.59
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079990
N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 118175250
2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877392
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079897
2-tert-butyl-N-(2-cyanoethyl)-5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877443
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079657
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409
2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079938
(4-benzylpiperazin-1-yl)-[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 46079983

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079932) is N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n3nc(C(C)(C)C)cc3n2)cc1.
What is the InChIKey of N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is KTSOYKBQCLNLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2/c1-33(2,3)30-22-31-34-28(26-15-17-27(39-4)18-16-26)21-29(37(31)35-30)32(38)36(23-25-13-9-6-10-14-25)20-19-24-11-7-5-8-12-24/h5-18,21-22H,19-20,23H2,1-4H3.
What are the key properties of N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 518.66 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).