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

C28H23ClN4O2 — CID 46170554

IUPAC2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccccc2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C28H23ClN4O2/c1-35-26-10-6-5-9-22(26)24-17-25(28(34)30-16-15-19-7-3-2-4-8-19)33-27(31-24)18-23(32-33)20-11-13-21(29)14-12-20/h2-14,17-18H,15-16H2,1H3,(H,30,34)
InChIKeyGCEJTQBJODLFLB-UHFFFAOYSA-N
MW482.97 g/mol
LogP5.70
Rot. Bonds7

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

2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46170554) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46170554
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC Name2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccccc2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C28H23ClN4O2/c1-35-26-10-6-5-9-22(26)24-17-25(28(34)30-16-15-19-7-3-2-4-8-19)33-27(31-24)18-23(32-33)20-11-13-21(29)14-12-20/h2-14,17-18H,15-16H2,1H3,(H,30,34)
InChIKeyGCEJTQBJODLFLB-UHFFFAOYSA-N
XLogP5.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877589
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877585
[2-(4-chlorophenyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 46170557
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877537
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3908887
2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877668
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93009006

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46170554) is 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccccc1-c1cc(C(=O)NCCc2ccccc2)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is GCEJTQBJODLFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c1-35-26-10-6-5-9-22(26)24-17-25(28(34)30-16-15-19-7-3-2-4-8-19)33-27(31-24)18-23(32-33)20-11-13-21(29)14-12-20/h2-14,17-18H,15-16H2,1H3,(H,30,34).
What are the key properties of 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46170554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).