7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one

C14H9Cl2N3O — CID 170426750

IUPAC7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one
SMILESO=C1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n21
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-1-8-12(7-5-17-18-6-7)10-3-4-11(20)19(10)14(8)13(9)16/h1-2,5-6H,3-4H2,(H,17,18)
InChIKeyIFGMMOAELVNYEH-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.92
Rot. Bonds1

About 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one

7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one (PubChem CID 170426750) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one
PubChem CID170426750
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one
SMILESO=C1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n21
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-1-8-12(7-5-17-18-6-7)10-3-4-11(20)19(10)14(8)13(9)16/h1-2,5-6H,3-4H2,(H,17,18)
InChIKeyIFGMMOAELVNYEH-UHFFFAOYSA-N
XLogP3.92
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US20230391786, Example 20
CID 170426488
US20230391786, Example 154
CID 170426540
US20230391786, Example 33
CID 170426625
US20230391786, Example 240
CID 170426694
US20230391786, Example 311
CID 170426708
US20230391786, Example 297
CID 170426718
US20230391786, Example 5
CID 170426740
US20230391786, Example 278
CID 170426754
US20230391786, Example 178
CID 170426761
US20230391786, Example 8
CID 170426767
US20230391786, Example 238
CID 170426799
US20230391786, Example 196
CID 170426846

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The IUPAC name of 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one (CID 170426750) is 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one is O=C1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n21.
What is the InChIKey of 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The InChIKey is IFGMMOAELVNYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-2-1-8-12(7-5-17-18-6-7)10-3-4-11(20)19(10)14(8)13(9)16/h1-2,5-6H,3-4H2,(H,17,18).
What are the key properties of 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one?
7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one has a molecular weight of 306.15 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 170426750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).