5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H16N6O2 — CID 56854687

IUPAC5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccc5n[nH]nc5c4)nc23)cc1
InChIInChI=1S/C20H16N6O2/c1-11-19(12-3-6-14(28-2)7-4-12)20-21-16(10-18(27)26(20)24-11)13-5-8-15-17(9-13)23-25-22-15/h3-10,24H,1-2H3,(H,22,23,25)
InChIKeyGFEZQVDKCLJCMR-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.94
Rot. Bonds3

About 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 56854687) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID56854687
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccc5n[nH]nc5c4)nc23)cc1
InChIInChI=1S/C20H16N6O2/c1-11-19(12-3-6-14(28-2)7-4-12)20-21-16(10-18(27)26(20)24-11)13-5-8-15-17(9-13)23-25-22-15/h3-10,24H,1-2H3,(H,22,23,25)
InChIKeyGFEZQVDKCLJCMR-UHFFFAOYSA-N
XLogP2.94
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1091466
3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168369
3-(4-methoxyphenyl)-2-methyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
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3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140473
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CID 171140472
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3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
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2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98077329
2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98133043
N-[4-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]ethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 56854687) is 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccc5n[nH]nc5c4)nc23)cc1.
What is the InChIKey of 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GFEZQVDKCLJCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-11-19(12-3-6-14(28-2)7-4-12)20-21-16(10-18(27)26(20)24-11)13-5-8-15-17(9-13)23-25-22-15/h3-10,24H,1-2H3,(H,22,23,25).
What are the key properties of 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 372.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56854687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).