3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole

C17H14BrFN2 — CID 171662418

IUPAC3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole
SMILESFc1cccc2c(-c3ccc(Br)cc3)nn(CC3CC3)c12
InChIInChI=1S/C17H14BrFN2/c18-13-8-6-12(7-9-13)16-14-2-1-3-15(19)17(14)21(20-16)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2
InChIKeyXRCNYJJBHXYTED-UHFFFAOYSA-N
MW345.22 g/mol
LogP5.01
Rot. Bonds3

About 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole

3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole (PubChem CID 171662418) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole
PubChem CID171662418
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole
SMILESFc1cccc2c(-c3ccc(Br)cc3)nn(CC3CC3)c12
InChIInChI=1S/C17H14BrFN2/c18-13-8-6-12(7-9-13)16-14-2-1-3-15(19)17(14)21(20-16)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2
InChIKeyXRCNYJJBHXYTED-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.22
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole?
The IUPAC name of 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole (CID 171662418) is 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole.
What is the SMILES notation for 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole?
The canonical SMILES for 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole is Fc1cccc2c(-c3ccc(Br)cc3)nn(CC3CC3)c12.
What is the InChIKey of 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole?
The InChIKey is XRCNYJJBHXYTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c18-13-8-6-12(7-9-13)16-14-2-1-3-15(19)17(14)21(20-16)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2.
What are the key properties of 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole?
3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole has a molecular weight of 345.22 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(cyclopropylmethyl)-7-fluoroindazole is sourced from PubChem (CID 171662418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).