N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide

C25H25ClN4O2S — CID 20885017

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
SMILESCOc1ccccc1-c1c(C)nn2c(SCC(=O)NCCc3ccc(Cl)cc3)cc(C)nc12
InChIInChI=1S/C25H25ClN4O2S/c1-16-14-23(33-15-22(31)27-13-12-18-8-10-19(26)11-9-18)30-25(28-16)24(17(2)29-30)20-6-4-5-7-21(20)32-3/h4-11,14H,12-13,15H2,1-3H3,(H,27,31)
InChIKeyFZKOHZMJPUXDKF-UHFFFAOYSA-N
MW481.02 g/mol
LogP5.13
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide (PubChem CID 20885017) has the molecular formula C25H25ClN4O2S and a molecular weight of 481.02 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
PubChem CID20885017
Molecular FormulaC25H25ClN4O2S
Molecular Weight481.02 g/mol
Exact Mass480.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
SMILESCOc1ccccc1-c1c(C)nn2c(SCC(=O)NCCc3ccc(Cl)cc3)cc(C)nc12
InChIInChI=1S/C25H25ClN4O2S/c1-16-14-23(33-15-22(31)27-13-12-18-8-10-19(26)11-9-18)30-25(28-16)24(17(2)29-30)20-6-4-5-7-21(20)32-3/h4-11,14H,12-13,15H2,1-3H3,(H,27,31)
InChIKeyFZKOHZMJPUXDKF-UHFFFAOYSA-N
XLogP5.13
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.02
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 20885043
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4179582
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 134787708
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4900741
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4898409
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2708663
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]acetamide
CID 8928835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide (CID 20885017) is N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide is COc1ccccc1-c1c(C)nn2c(SCC(=O)NCCc3ccc(Cl)cc3)cc(C)nc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide?
The InChIKey is FZKOHZMJPUXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2S/c1-16-14-23(33-15-22(31)27-13-12-18-8-10-19(26)11-9-18)30-25(28-16)24(17(2)29-30)20-6-4-5-7-21(20)32-3/h4-11,14H,12-13,15H2,1-3H3,(H,27,31).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide has a molecular weight of 481.02 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide is sourced from PubChem (CID 20885017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).