6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole

C19H13F3N4 — CID 122590119

IUPAC6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
SMILESFc1cc(F)c(-c2nn3c(c2-c2ccc4cn[nH]c4c2)CCC3)cc1F
InChIInChI=1S/C19H13F3N4/c20-13-8-15(22)14(21)7-12(13)19-18(17-2-1-5-26(17)25-19)10-3-4-11-9-23-24-16(11)6-10/h3-4,6-9H,1-2,5H2,(H,23,24)
InChIKeyPIYBWQBNIKVZAD-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.46
Rot. Bonds2

About 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole

6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole (PubChem CID 122590119) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
PubChem CID122590119
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
SMILESFc1cc(F)c(-c2nn3c(c2-c2ccc4cn[nH]c4c2)CCC3)cc1F
InChIInChI=1S/C19H13F3N4/c20-13-8-15(22)14(21)7-12(13)19-18(17-2-1-5-26(17)25-19)10-3-4-11-9-23-24-16(11)6-10/h3-4,6-9H,1-2,5H2,(H,23,24)
InChIKeyPIYBWQBNIKVZAD-UHFFFAOYSA-N
XLogP4.46
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The IUPAC name of 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole (CID 122590119) is 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole.
What is the SMILES notation for 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The canonical SMILES for 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole is Fc1cc(F)c(-c2nn3c(c2-c2ccc4cn[nH]c4c2)CCC3)cc1F.
What is the InChIKey of 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The InChIKey is PIYBWQBNIKVZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-13-8-15(22)14(21)7-12(13)19-18(17-2-1-5-26(17)25-19)10-3-4-11-9-23-24-16(11)6-10/h3-4,6-9H,1-2,5H2,(H,23,24).
What are the key properties of 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole has a molecular weight of 354.34 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole is sourced from PubChem (CID 122590119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).