6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole

C14H7Cl2F3N6 — CID 164549210

IUPAC6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESFC(F)(F)c1nc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-c2ccn[nH]2)n[nH]1
InChIInChI=1S/C14H7Cl2F3N6/c15-6-2-1-5-8(7-3-4-20-23-7)11(21-10(5)9(6)16)12-22-13(25-24-12)14(17,18)19/h1-4,21H,(H,20,23)(H,22,24,25)
InChIKeyMZWWLUMFLLMZAO-UHFFFAOYSA-N
MW387.15 g/mol
LogP4.67
Rot. Bonds2

About 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole

6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 164549210) has the molecular formula C14H7Cl2F3N6 and a molecular weight of 387.15 g/mol. Its IUPAC name is 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
PubChem CID164549210
Molecular FormulaC14H7Cl2F3N6
Molecular Weight387.15 g/mol
Exact Mass386.01
IUPAC Name6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESFC(F)(F)c1nc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-c2ccn[nH]2)n[nH]1
InChIInChI=1S/C14H7Cl2F3N6/c15-6-2-1-5-8(7-3-4-20-23-7)11(21-10(5)9(6)16)12-22-13(25-24-12)14(17,18)19/h1-4,21H,(H,20,23)(H,22,24,25)
InChIKeyMZWWLUMFLLMZAO-UHFFFAOYSA-N
XLogP4.67
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US20230391786, Example 12
CID 170426549
US20230391786, Example 10
CID 170426993
US20230391786, Example 103
CID 170427222
US20230391786, Example 11
CID 170427483
US20230391786, Example 34
CID 170427549
US12404261, Example 6
CID 164549129
US12404261, Example 16
CID 164549132
US12404261, Example 23
CID 164549138
US12404261, Example 108
CID 164549139
US12404261, Example 32
CID 164549141
US12404261, Example 13
CID 164549172
US12404261, Example 76
CID 164549180

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole (CID 164549210) is 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is FC(F)(F)c1nc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-c2ccn[nH]2)n[nH]1.
What is the InChIKey of 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is MZWWLUMFLLMZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N6/c15-6-2-1-5-8(7-3-4-20-23-7)11(21-10(5)9(6)16)12-22-13(25-24-12)14(17,18)19/h1-4,21H,(H,20,23)(H,22,24,25).
What are the key properties of 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole?
6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 387.15 g/mol, XLogP of 4.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(1H-pyrazol-5-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 164549210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).