2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide

C18H24N4OS — CID 20887781

IUPAC2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)CN2CCCn3nc(C)cc32)cc1
InChIInChI=1S/C18H24N4OS/c1-14-12-18-21(10-3-11-22(18)20-14)13-17(23)19-9-8-15-4-6-16(24-2)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,23)
InChIKeyBBHNZGJLOXEQOI-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.48
Rot. Bonds6

About 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide

2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 20887781) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID20887781
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)CN2CCCn3nc(C)cc32)cc1
InChIInChI=1S/C18H24N4OS/c1-14-12-18-21(10-3-11-22(18)20-14)13-17(23)19-9-8-15-4-6-16(24-2)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,23)
InChIKeyBBHNZGJLOXEQOI-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 20887781) is 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(CCNC(=O)CN2CCCn3nc(C)cc32)cc1.
What is the InChIKey of 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is BBHNZGJLOXEQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14-12-18-21(10-3-11-22(18)20-14)13-17(23)19-9-8-15-4-6-16(24-2)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,23).
What are the key properties of 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 20887781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).