2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol

C16H15Cl2N3O — CID 170426961

IUPAC2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol
SMILESOCCC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C16H15Cl2N3O/c17-12-2-1-11-13(10-7-19-20-8-10)15-9(4-6-22)3-5-21(15)16(11)14(12)18/h1-2,7-9,22H,3-6H2,(H,19,20)
InChIKeyNTMPZOIUNUJRAZ-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.21
Rot. Bonds3

About 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol

2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol (PubChem CID 170426961) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol
PubChem CID170426961
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol
SMILESOCCC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C16H15Cl2N3O/c17-12-2-1-11-13(10-7-19-20-8-10)15-9(4-6-22)3-5-21(15)16(11)14(12)18/h1-2,7-9,22H,3-6H2,(H,19,20)
InChIKeyNTMPZOIUNUJRAZ-UHFFFAOYSA-N
XLogP4.21
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US20230391786, Example 154
CID 170426540
US20230391786, Example 18
CID 170426673
US20230391786, Example 68
CID 170426750
US20230391786, Example 278
CID 170426754
US20230391786, Example 73
CID 170426848
6,7-Dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
CID 170426855
US20230391786, Example 155
CID 170426879
US20230391786, Example 26
CID 170426949
US20230391786, Example 35
CID 170427284
US20230391786, Example 15
CID 170427390
US20230391786, Example 78
CID 170427437
US20230391786, Example 77
CID 170427438

Frequently Asked Questions

What is the IUPAC name of 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol?
The IUPAC name of 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol (CID 170426961) is 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol.
What is the SMILES notation for 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol?
The canonical SMILES for 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol is OCCC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12.
What is the InChIKey of 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol?
The InChIKey is NTMPZOIUNUJRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-12-2-1-11-13(10-7-19-20-8-10)15-9(4-6-22)3-5-21(15)16(11)14(12)18/h1-2,7-9,22H,3-6H2,(H,19,20).
What are the key properties of 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol?
2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol has a molecular weight of 336.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanol is sourced from PubChem (CID 170426961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).