4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one

C19H14N4O — CID 127051436

IUPAC4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N4O/c24-19-17(13-9-20-15-7-3-1-5-11(13)15)18(22-23-19)14-10-21-16-8-4-2-6-12(14)16/h1-10,20-21H,(H2,22,23,24)
InChIKeyBSZAQPHKIPCLAM-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.00
Rot. Bonds2

About 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one

4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one (PubChem CID 127051436) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
PubChem CID127051436
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N4O/c24-19-17(13-9-20-15-7-3-1-5-11(13)15)18(22-23-19)14-10-21-16-8-4-2-6-12(14)16/h1-10,20-21H,(H2,22,23,24)
InChIKeyBSZAQPHKIPCLAM-UHFFFAOYSA-N
XLogP4.00
TPSA80.23 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indol-3-yl)-5-(4-prop-2-enyl-1-benzofuran-3-yl)-1,2-dihydropyrazol-3-one
CID 59140673
6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione
CID 102126486
4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
CID 135780355
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
methane;3-phenyl-1H-indole
CID 167711687
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
2-(1H-indol-3-yl)thiochromen-4-one
CID 54116167
4-(1H-indol-3-yl)cyclohexa-3,5-diene-1,2-dione
CID 134923817
[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine
CID 122439577
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one (CID 127051436) is 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one?
The InChIKey is BSZAQPHKIPCLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19-17(13-9-20-15-7-3-1-5-11(13)15)18(22-23-19)14-10-21-16-8-4-2-6-12(14)16/h1-10,20-21H,(H2,22,23,24).
What are the key properties of 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one?
4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one has a molecular weight of 314.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 127051436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).