N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C35H30N4O2 — CID 46079657

IUPACN-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)nc3cc(-c4ccccc4)nn23)c1
InChIInChI=1S/C35H30N4O2/c1-41-30-19-11-18-29(22-30)33-23-32(36-34-24-31(37-39(33)34)28-16-9-4-10-17-28)35(40)38(25-27-14-7-3-8-15-27)21-20-26-12-5-2-6-13-26/h2-19,22-24H,20-21,25H2,1H3
InChIKeyVMEAGPRZVQTOML-UHFFFAOYSA-N
MW538.65 g/mol
LogP6.96
Rot. Bonds9

About N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 46079657) has the molecular formula C35H30N4O2 and a molecular weight of 538.65 g/mol. Its IUPAC name is N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID46079657
Molecular FormulaC35H30N4O2
Molecular Weight538.65 g/mol
Exact Mass538.24
IUPAC NameN-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)nc3cc(-c4ccccc4)nn23)c1
InChIInChI=1S/C35H30N4O2/c1-41-30-19-11-18-29(22-30)33-23-32(36-34-24-31(37-39(33)34)28-16-9-4-10-17-28)35(40)38(25-27-14-7-3-8-15-27)21-20-26-12-5-2-6-13-26/h2-19,22-24H,20-21,25H2,1H3
InChIKeyVMEAGPRZVQTOML-UHFFFAOYSA-N
XLogP6.96
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877149
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079932
N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662448
N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079990
N-benzyl-3-(3-methoxyphenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4031267
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-fluorophenyl)-N-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877273
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-benzyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3970750

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 46079657) is N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)nc3cc(-c4ccccc4)nn23)c1.
What is the InChIKey of N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is VMEAGPRZVQTOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4O2/c1-41-30-19-11-18-29(22-30)33-23-32(36-34-24-31(37-39(33)34)28-16-9-4-10-17-28)35(40)38(25-27-14-7-3-8-15-27)21-20-26-12-5-2-6-13-26/h2-19,22-24H,20-21,25H2,1H3.
What are the key properties of N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 538.65 g/mol, XLogP of 6.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 46079657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).