N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C29H35N5O2 — CID 46079990

IUPACN-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccccc3)n3nc(C(C)(C)C)cc3n2)c1
InChIInChI=1S/C29H35N5O2/c1-29(2,3)26-19-27-30-24(22-13-10-14-23(17-22)36-6)18-25(34(27)31-26)28(35)33(16-15-32(4)5)20-21-11-8-7-9-12-21/h7-14,17-19H,15-16,20H2,1-6H3
InChIKeyHCBGRLFKZHOKKL-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.91
Rot. Bonds8

About N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079990) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46079990
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC NameN-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccccc3)n3nc(C(C)(C)C)cc3n2)c1
InChIInChI=1S/C29H35N5O2/c1-29(2,3)26-19-27-30-24(22-13-10-14-23(17-22)36-6)18-25(34(27)31-26)28(35)33(16-15-32(4)5)20-21-11-8-7-9-12-21/h7-14,17-19H,15-16,20H2,1-6H3
InChIKeyHCBGRLFKZHOKKL-UHFFFAOYSA-N
XLogP4.91
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079932
2-tert-butyl-N-(2-cyanoethyl)-5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877443
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,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877392
(4-benzylpiperazin-1-yl)-[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 46079983
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-5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079994
2-tert-butyl-5-(3-methoxyphenyl)-N-pentylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080003
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079657
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 46079997
N-benzyl-N-[2-(dimethylamino)ethyl]-6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
CID 42797153

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079990) is N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1cccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccccc3)n3nc(C(C)(C)C)cc3n2)c1.
What is the InChIKey of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is HCBGRLFKZHOKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-29(2,3)26-19-27-30-24(22-13-10-14-23(17-22)36-6)18-25(34(27)31-26)28(35)33(16-15-32(4)5)20-21-11-8-7-9-12-21/h7-14,17-19H,15-16,20H2,1-6H3.
What are the key properties of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).