6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C27H20N6O2 — CID 134307160

IUPAC6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc(O)cc2)c(Nc2ccn[nH]2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C27H20N6O2/c34-20-13-11-18(12-14-20)23-25(29-21-15-16-28-31-21)30-26-22(17-7-3-1-4-8-17)24(32-33(26)27(23)35)19-9-5-2-6-10-19/h1-16,32,34H,(H2,28,29,31)
InChIKeyYRVNBMXJFUGZGZ-UHFFFAOYSA-N
MW460.50 g/mol
LogP5.20
Rot. Bonds5

About 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307160) has the molecular formula C27H20N6O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307160
Molecular FormulaC27H20N6O2
Molecular Weight460.50 g/mol
Exact Mass460.16
IUPAC Name6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc(O)cc2)c(Nc2ccn[nH]2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C27H20N6O2/c34-20-13-11-18(12-14-20)23-25(29-21-15-16-28-31-21)30-26-22(17-7-3-1-4-8-17)24(32-33(26)27(23)35)19-9-5-2-6-10-19/h1-16,32,34H,(H2,28,29,31)
InChIKeyYRVNBMXJFUGZGZ-UHFFFAOYSA-N
XLogP5.20
TPSA111.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307160) is 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccc(O)cc2)c(Nc2ccn[nH]2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12.
What is the InChIKey of 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YRVNBMXJFUGZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O2/c34-20-13-11-18(12-14-20)23-25(29-21-15-16-28-31-21)30-26-22(17-7-3-1-4-8-17)24(32-33(26)27(23)35)19-9-5-2-6-10-19/h1-16,32,34H,(H2,28,29,31).
What are the key properties of 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 460.50 g/mol, XLogP of 5.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).