4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole

C16H17Cl2N3 — CID 103428325

IUPAC4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole
SMILESCCc1cc(Cn2ccc3c(Cl)cc(Cl)cc32)n(CC)n1
InChIInChI=1S/C16H17Cl2N3/c1-3-12-9-13(21(4-2)19-12)10-20-6-5-14-15(18)7-11(17)8-16(14)20/h5-9H,3-4,10H2,1-2H3
InChIKeyWQUOTHOEEMEYJQ-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.78
Rot. Bonds4

About 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole

4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole (PubChem CID 103428325) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole
PubChem CID103428325
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole
SMILESCCc1cc(Cn2ccc3c(Cl)cc(Cl)cc32)n(CC)n1
InChIInChI=1S/C16H17Cl2N3/c1-3-12-9-13(21(4-2)19-12)10-20-6-5-14-15(18)7-11(17)8-16(14)20/h5-9H,3-4,10H2,1-2H3
InChIKeyWQUOTHOEEMEYJQ-UHFFFAOYSA-N
XLogP4.78
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole?
The IUPAC name of 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole (CID 103428325) is 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole is CCc1cc(Cn2ccc3c(Cl)cc(Cl)cc32)n(CC)n1.
What is the InChIKey of 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole?
The InChIKey is WQUOTHOEEMEYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-3-12-9-13(21(4-2)19-12)10-20-6-5-14-15(18)7-11(17)8-16(14)20/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole?
4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole has a molecular weight of 322.24 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole is sourced from PubChem (CID 103428325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).