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

C19H13ClF2N4 — CID 122589989

IUPAC1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole
SMILESFc1ccc(-c2nn3c(c2-n2ncc4ccccc42)CCC3)c(F)c1Cl
InChIInChI=1S/C19H13ClF2N4/c20-16-13(21)8-7-12(17(16)22)18-19(15-6-3-9-25(15)24-18)26-14-5-2-1-4-11(14)10-23-26/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyJAYNIVIHCXMKET-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.77
Rot. Bonds2

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

1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole (PubChem CID 122589989) has the molecular formula C19H13ClF2N4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole.

Molecular Properties

Compound Name1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole
PubChem CID122589989
Molecular FormulaC19H13ClF2N4
Molecular Weight370.79 g/mol
Exact Mass370.08
IUPAC Name1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole
SMILESFc1ccc(-c2nn3c(c2-n2ncc4ccccc42)CCC3)c(F)c1Cl
InChIInChI=1S/C19H13ClF2N4/c20-16-13(21)8-7-12(17(16)22)18-19(15-6-3-9-25(15)24-18)26-14-5-2-1-4-11(14)10-23-26/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyJAYNIVIHCXMKET-UHFFFAOYSA-N
XLogP4.77
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole?
The IUPAC name of 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole (CID 122589989) is 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole.
What is the SMILES notation for 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole?
The canonical SMILES for 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole is Fc1ccc(-c2nn3c(c2-n2ncc4ccccc42)CCC3)c(F)c1Cl.
What is the InChIKey of 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole?
The InChIKey is JAYNIVIHCXMKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4/c20-16-13(21)8-7-12(17(16)22)18-19(15-6-3-9-25(15)24-18)26-14-5-2-1-4-11(14)10-23-26/h1-2,4-5,7-8,10H,3,6,9H2.
What are the key properties of 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole?
1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole has a molecular weight of 370.79 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole is sourced from PubChem (CID 122589989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).