5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H20N6O — CID 46973788

IUPAC5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2c[nH]n3c(=O)cc(CCn4nc(C)nc4C)nc23)cc1
InChIInChI=1S/C19H20N6O/c1-12-4-6-15(7-5-12)17-11-20-25-18(26)10-16(22-19(17)25)8-9-24-14(3)21-13(2)23-24/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyTXISZUFXEITJDY-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.45
Rot. Bonds4

About 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973788) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973788
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2c[nH]n3c(=O)cc(CCn4nc(C)nc4C)nc23)cc1
InChIInChI=1S/C19H20N6O/c1-12-4-6-15(7-5-12)17-11-20-25-18(26)10-16(22-19(17)25)8-9-24-14(3)21-13(2)23-24/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyTXISZUFXEITJDY-UHFFFAOYSA-N
XLogP2.45
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973794
5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10514153
3-(3-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 675415
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973793
5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172657028
3-(3,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274180
3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98132985
3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172659006
3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 6484562
5-[2-(benzotriazol-1-yl)propyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973405
5-[(2R)-2-(benzotriazol-1-yl)propyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139030
3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925446

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973788) is 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccc(-c2c[nH]n3c(=O)cc(CCn4nc(C)nc4C)nc23)cc1.
What is the InChIKey of 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is TXISZUFXEITJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-4-6-15(7-5-12)17-11-20-25-18(26)10-16(22-19(17)25)8-9-24-14(3)21-13(2)23-24/h4-7,10-11,20H,8-9H2,1-3H3.
What are the key properties of 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 348.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).