N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H26N4O3 — CID 46074679

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnn3c(-c4ccc(-c5ccccc5)cc4)ccnc23)cc1OC
InChIInChI=1S/C29H26N4O3/c1-35-26-13-8-20(18-27(26)36-2)14-16-31-29(34)24-19-32-33-25(15-17-30-28(24)33)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-13,15,17-19H,14,16H2,1-2H3,(H,31,34)
InChIKeyFMZYELWPIJPPSX-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.05
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46074679) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46074679
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnn3c(-c4ccc(-c5ccccc5)cc4)ccnc23)cc1OC
InChIInChI=1S/C29H26N4O3/c1-35-26-13-8-20(18-27(26)36-2)14-16-31-29(34)24-19-32-33-25(15-17-30-28(24)33)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-13,15,17-19H,14,16H2,1-2H3,(H,31,34)
InChIKeyFMZYELWPIJPPSX-UHFFFAOYSA-N
XLogP5.05
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873234
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440606
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855267
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109667
7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855278
N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506856
N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
CID 57280102
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
N-(2-hydroxy-2-phenylethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75403724

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46074679) is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CCNC(=O)c2cnn3c(-c4ccc(-c5ccccc5)cc4)ccnc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FMZYELWPIJPPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-35-26-13-8-20(18-27(26)36-2)14-16-31-29(34)24-19-32-33-25(15-17-30-28(24)33)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-13,15,17-19H,14,16H2,1-2H3,(H,31,34).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46074679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).