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

C28H23ClN4O2 — CID 93009006

IUPAC2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C28H23ClN4O2/c1-18(19-8-4-3-5-9-19)30-28(34)24-16-25(22-10-6-7-11-26(22)35-2)33-27(31-24)17-23(32-33)20-12-14-21(29)15-13-20/h3-18H,1-2H3,(H,30,34)/t18-/m0/s1
InChIKeyBTEKHERYTSKSQP-SFHVURJKSA-N
MW482.97 g/mol
LogP6.22
Rot. Bonds6

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

2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 93009006) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID93009006
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC Name2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C28H23ClN4O2/c1-18(19-8-4-3-5-9-19)30-28(34)24-16-25(22-10-6-7-11-26(22)35-2)33-27(31-24)17-23(32-33)20-12-14-21(29)15-13-20/h3-18H,1-2H3,(H,30,34)/t18-/m0/s1
InChIKeyBTEKHERYTSKSQP-SFHVURJKSA-N
XLogP6.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42877309
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 7472546
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42690229
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009070
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
CID 20863104
2-(furan-2-yl)-7-methyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040536

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 93009006) is 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)nc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is BTEKHERYTSKSQP-SFHVURJKSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c1-18(19-8-4-3-5-9-19)30-28(34)24-16-25(22-10-6-7-11-26(22)35-2)33-27(31-24)17-23(32-33)20-12-14-21(29)15-13-20/h3-18H,1-2H3,(H,30,34)/t18-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 93009006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).