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

C20H18N4O — CID 122590025

IUPAC5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
SMILESCOc1ccc(-c2nn3c(c2-c2ccc4[nH]ncc4c2)CCC3)cc1
InChIInChI=1S/C20H18N4O/c1-25-16-7-4-13(5-8-16)20-19(18-3-2-10-24(18)23-20)14-6-9-17-15(11-14)12-21-22-17/h4-9,11-12H,2-3,10H2,1H3,(H,21,22)
InChIKeyACAOCFKNCGMWDT-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.05
Rot. Bonds3

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

5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole (PubChem CID 122590025) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
PubChem CID122590025
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
SMILESCOc1ccc(-c2nn3c(c2-c2ccc4[nH]ncc4c2)CCC3)cc1
InChIInChI=1S/C20H18N4O/c1-25-16-7-4-13(5-8-16)20-19(18-3-2-10-24(18)23-20)14-6-9-17-15(11-14)12-21-22-17/h4-9,11-12H,2-3,10H2,1H3,(H,21,22)
InChIKeyACAOCFKNCGMWDT-UHFFFAOYSA-N
XLogP4.05
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole (CID 122590025) is 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole is COc1ccc(-c2nn3c(c2-c2ccc4[nH]ncc4c2)CCC3)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The InChIKey is ACAOCFKNCGMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-25-16-7-4-13(5-8-16)20-19(18-3-2-10-24(18)23-20)14-6-9-17-15(11-14)12-21-22-17/h4-9,11-12H,2-3,10H2,1H3,(H,21,22).
What are the key properties of 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole has a molecular weight of 330.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole is sourced from PubChem (CID 122590025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).