4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C15H17N3O2 — CID 23608258

IUPAC4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCN1C(=O)c2n[nH]c(C)c2C1c1cccc(O)c1
InChIInChI=1S/C15H17N3O2/c1-3-7-18-14(10-5-4-6-11(19)8-10)12-9(2)16-17-13(12)15(18)20/h4-6,8,14,19H,3,7H2,1-2H3,(H,16,17)
InChIKeyBFAXIMAZDFQWOU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds3

About 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 23608258) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID23608258
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCN1C(=O)c2n[nH]c(C)c2C1c1cccc(O)c1
InChIInChI=1S/C15H17N3O2/c1-3-7-18-14(10-5-4-6-11(19)8-10)12-9(2)16-17-13(12)15(18)20/h4-6,8,14,19H,3,7H2,1-2H3,(H,16,17)
InChIKeyBFAXIMAZDFQWOU-UHFFFAOYSA-N
XLogP2.38
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 23608258) is 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CCCN1C(=O)c2n[nH]c(C)c2C1c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is BFAXIMAZDFQWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-7-18-14(10-5-4-6-11(19)8-10)12-9(2)16-17-13(12)15(18)20/h4-6,8,14,19H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 271.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 23608258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).