3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one

C22H15N5O — CID 127049934

IUPAC3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
SMILESCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1
InChIInChI=1S/C22H15N5O/c1-27-11-15(10-25-27)12-2-4-16-18(6-12)21-20(22(16)28)17-5-3-13(7-19(17)26-21)14-8-23-24-9-14/h2-11,26H,1H3,(H,23,24)
InChIKeyZFQYZXYOKDSKKO-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.17
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one

3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one (PubChem CID 127049934) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
PubChem CID127049934
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
SMILESCn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1
InChIInChI=1S/C22H15N5O/c1-27-11-15(10-25-27)12-2-4-16-18(6-12)21-20(22(16)28)17-5-3-13(7-19(17)26-21)14-8-23-24-9-14/h2-11,26H,1H3,(H,23,24)
InChIKeyZFQYZXYOKDSKKO-UHFFFAOYSA-N
XLogP4.17
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one (CID 127049934) is 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one is Cn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one?
The InChIKey is ZFQYZXYOKDSKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c1-27-11-15(10-25-27)12-2-4-16-18(6-12)21-20(22(16)28)17-5-3-13(7-19(17)26-21)14-8-23-24-9-14/h2-11,26H,1H3,(H,23,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one?
3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one has a molecular weight of 365.40 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one is sourced from PubChem (CID 127049934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).