4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one

C23H22N4O2 — CID 42947268

IUPAC4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2n(CC(O)Cn3c4ccccc4c4ccccc43)c(C)cc(=O)n2n1
InChIInChI=1S/C23H22N4O2/c1-15-11-22-25(16(2)12-23(29)27(22)24-15)13-17(28)14-26-20-9-5-3-7-18(20)19-8-4-6-10-21(19)26/h3-12,17,28H,13-14H2,1-2H3
InChIKeyGHDPSYOUAUYFJM-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.28
Rot. Bonds4

About 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one

4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 42947268) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID42947268
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2n(CC(O)Cn3c4ccccc4c4ccccc43)c(C)cc(=O)n2n1
InChIInChI=1S/C23H22N4O2/c1-15-11-22-25(16(2)12-23(29)27(22)24-15)13-17(28)14-26-20-9-5-3-7-18(20)19-8-4-6-10-21(19)26/h3-12,17,28H,13-14H2,1-2H3
InChIKeyGHDPSYOUAUYFJM-UHFFFAOYSA-N
XLogP3.28
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one (CID 42947268) is 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2n(CC(O)Cn3c4ccccc4c4ccccc43)c(C)cc(=O)n2n1.
What is the InChIKey of 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GHDPSYOUAUYFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-11-22-25(16(2)12-23(29)27(22)24-15)13-17(28)14-26-20-9-5-3-7-18(20)19-8-4-6-10-21(19)26/h3-12,17,28H,13-14H2,1-2H3.
What are the key properties of 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 386.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 42947268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).